SCHEMBL10311686

SCHEMBL10311686

CC(C)C(=O)NC(C)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
ADORA2A P29274 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 1/20 0.46
PARP1 P09874 2/20 0.45
PARP3 Q9Y6F1 1/20 0.45
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
STAT6 P42226 1/20 0.44

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
SCHEMBL19699507 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHTTLMNACYP3A4
SCHEMBL19699482 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHTTLMNACYP3A4
SCHEMBL6392481 0.84 PARP1 (0.49) ALDH1A1KDM4EHTTCYP3A4CYP1A2
SCHEMBL10311741 0.84 CYP3A4 (0.49) ALDH1A1KDM4ELMNACYP3A4CYP1A2
SCHEMBL19706485 0.84 CYP3A4 (0.49) ALDH1A1KDM4ELMNACYP3A4CYP1A2
SCHEMBL12069874 0.84 CYP3A4 (0.49) ALDH1A1KDM4ELMNACYP3A4CYP1A2
SCHEMBL9750150 0.83 CYP1A2 (0.47) ALDH1A1CYP3A4CYP1A2ADORA2AADORA3
SCHEMBL1197052 0.83 CYP1A2 (0.47) ALDH1A1KDM4ELMNACYP3A4CYP1A2
SCHEMBL9230144 0.82 CYP3A4 (0.44) ALDH1A1KDM4EHTTLMNACYP3A4
SCHEMBL24315668 0.81 TACR3 (0.51) ALDH1A1KDM4EHTTLMNACYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US 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 (4 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885KDM4E 2721/4885HTT 1174/4885
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS ALDH1A1 1495/4885KDM4E 1440/4885HTT 4157/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ALDH1A1 2267/4885KDM4E 791/4885HTT 19/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4035/4885KDM4E 614/4885HTT 3648/4885

“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.