SCHEMBL506656

SCHEMBL506656

NCc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.70
HDAC2 Q92769 3/20 0.70
HDAC8 Q9BY41 3/20 0.70
TSHR P16473 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
CFD P00746 1/20 0.68
HDAC1 Q13547 4/20 0.68
HPGD P15428 1/20 0.66
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.64
RAB9A P51151 1/20 0.64
EPHX2 P34913 1/20 0.64
NR1H4 Q96RI1 1/20 0.64
HDAC3 O15379 2/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7119894 0.93 HDAC6 (0.66) HDAC6HDAC2HDAC8TSHRCYP1A2
SCHEMBL26167889 0.90 NR1H4 (0.69) HDAC6HDAC2HDAC8TSHRCYP1A2
SCHEMBL11900090 0.89 HDAC6 (0.85) HDAC6HDAC2HDAC8TSHRHDAC1
SCHEMBL4925434 0.88 CFD (0.62) HDAC6HDAC2HDAC8TSHRCYP1A2
SCHEMBL27600905 0.88 HPGD (0.78) HDAC6HDAC1HPGDLMNARAB9A
SCHEMBL4928443 0.87 CFD (0.74) HDAC6HDAC2HDAC8TSHRCYP1A2
SCHEMBL13133467 0.87 HDAC6 (0.66) HDAC6HDAC2HDAC8TSHRHDAC1
Hydrochloric Acid SCHEMBL2210739 0.85 HDAC6 (0.64) HDAC6HDAC2HDAC8TSHRHDAC1
SCHEMBL457082 0.85 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC1HPGD
SCHEMBL8269164 0.85 EPHX2 (0.69) HDAC6HDAC8CYP1A2CYP2C19HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753524-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2023-09-12 US disclosed
US-20220073700-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2022-03-10 US disclosed
US-11066536-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2021-07-20 US disclosed
US-20200172702-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-06-04 US disclosed
US-10351692-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2019-07-16 US disclosed
WO-2016061503-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-04-21 WO disclosed
US-20160108207-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-04-21 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-7759347-B2 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-20090124628-A1 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1761536-B1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2007-12-26 EP disclosed
EP-1761536-A1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-03-14 EP disclosed
US-20060004014-A1 2-Benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US disclosed
WO-2005123736-A1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC6 1861/4885HDAC2 1169/4885HDAC8 1964/4885
US-20220073700-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-20160108207-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-11753524-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-10351692-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-20090124628-A1 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments QDPR, DHPS, CYP51A1 HDAC6 4611/4885HDAC2 4389/4885HDAC8 4842/4885
US-20200172702-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-20060004014-A1 2-Benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments QDPR, DHPS, CYP51A1 HDAC6 4611/4885HDAC2 4389/4885HDAC8 4842/4885
US-11066536-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT HDAC6 2855/4885HDAC2 4544/4885HDAC8 4675/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC6 2510/4885HDAC2 3135/4885HDAC8 3914/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.