SCHEMBL1106938

SCHEMBL1106938

CC(C)NC(=O)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
PTGS2 P35354 1/20 0.67
HPGD P15428 2/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 2/20 0.59
NAMPT P43490 1/20 0.57
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C19 P33261 1/20 0.55
MLYCD O95822 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
Bromide SCHEMBL7372571 0.98 MAOA (0.65) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL19557789 0.84 MAOA (0.54) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL8590217 0.84 MLYCD (0.70) PTGS2HPGDLMNAALDH1A1NAMPT
SCHEMBL6030061 0.84 MAOA (0.58) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL21950435 0.84 MAOA (0.58) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL24590569 0.82 MAOA (0.56) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2917519 0.82 CA2 (0.57) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL5131090 0.82 CA2 (0.57) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL18457430 0.82 MAOA (0.56) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2917517 0.82 CA2 (0.57) MAOAMAOBPTGS2HPGDLMNA

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115629139-B Method for determining impurity content in isonicotinamide by utilizing HPLC 江苏慈星药业有限公司 2024-08-02 CN claimed
CN-115629139-A Method for determining content of impurities in propylthioisoniazid by using HPLC (high performance liquid chromatography) 江苏慈星药业有限公司 2023-01-20 CN claimed
CN-115629139-B Method for determining impurity content in isonicotinamide by utilizing HPLC 江苏慈星药业有限公司 2024-08-02 CN disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
EP-1691610-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS New Zealand Institute for Crop & Food Research Limited and Plant Research International B.V. (NL) 2006-08-23 EP disclosed
WO-2005046330-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2005-05-26 WO disclosed
CN-1494530-A Heterocyclic diamide invertebrate pest control agents �Ű˾ 2004-05-05 CN disclosed
US-6005112-A REACTING SUBSTITUTED OR UNSUBSTITUTED PYRIDINE METAL COMPOUND WITH SUBSTITUTED ISOCYANATE OR ISOTHIOCYANATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-12-21 US disclosed
EP-0881217-A1 PROCESS FOR PRODUCING PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-02 EP disclosed
EP-0347831-B1 Pyridine derivatives and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1996-12-11 EP disclosed
US-4971964-A INHIBITORS OF THROMBOXANE SYNTHASE, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORU AGENTS, CANCER KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-11-20 US disclosed
EP-0347831-A2 Pyridine derivatives and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 EP disclosed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 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 (5 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV MAOA 3734/4885MAOB 3153/4885PTGS2 2946/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 MAOA 2166/4885MAOB 1987/4885PTGS2 4214/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL MAOA 2593/4885MAOB 1859/4885PTGS2 814/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB MAOA 4189/4885MAOB 4042/4885PTGS2 2687/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAOA 2459/4885MAOB 1780/4885PTGS2 694/4885

“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.