Sugi Predict

Sugi Predict / Compounds / SCHEMBL4853320

SCHEMBL4853320

SCHEMBL4853320

NC(CO)Cc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 6/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ AGXT P21549 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ ANPEP P15144 2/20 0.41
▸ ENPEP Q07075 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL1177558 1.00 TAAR1 (0.48) TAAR1IDO1AGXTEPHX1ANPEP
SCHEMBL21187234 0.83 TAAR1 (0.55) TAAR1IDO1AGXTEPHX1ANPEP
SCHEMBL30641041 0.83 TAAR1 (0.55) TAAR1IDO1AGXTEPHX1ANPEP
SCHEMBL6478004 0.81 TAAR1 (0.48) TAAR1IDO1AGXTEPHX1SIGMAR1
SCHEMBL5857076 0.81 TAAR1 (0.47) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL3050580 0.81 TAAR1 (0.52) TAAR1IDO1AGXTSIGMAR1MAOB
SCHEMBL4598978 0.80 ANPEP (0.48) TAAR1IDO1AGXTEPHX1ANPEP
SCHEMBL20788954 0.80 ANPEP (0.48) TAAR1IDO1AGXTEPHX1ANPEP
SCHEMBL56469 0.79 EPHX1 (0.48) TAAR1EPHX1ANPEPENPEPSIGMAR1
SCHEMBL11693891 0.79 ENPP2 (0.53) TAAR1EPHX1ANPEPENPEPSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246787-B Meta-disubstituted compound, preparation thereof and application thereof in preventing and treating mosquito and plant pathogen diseases 吉林省达凯生物医药有限公司 2024-03-12 — — CN disclosed
CN-115246787-A Meta-disubstituted compound, preparation thereof and application thereof in preventing and treating mosquito and plant pathogenic bacteria 吉林省达凯生物医药有限公司 2022-10-28 — — CN disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 — — US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 — — US disclosed
EP-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 — — EP disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 — — US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 — — US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 — — US disclosed
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 — — WO disclosed
US-20050187218-A1 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 — — US disclosed
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — US disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 — — US disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 — — US disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 — — US disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 — — US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 — — EP 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 (7 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-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 TAAR1 3369/4885IDO1 2440/4885AGXT 1128/4885
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors CDK2, ERBB2, ABL1 TAAR1 3811/4885IDO1 3229/4885AGXT 3979/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER TAAR1 2423/4885IDO1 1854/4885AGXT 961/4885
US-20050187218-A1 Imidazole based kinase inhibitors MAP3K19, MAP3K1, ABL1 TAAR1 2497/4885IDO1 1097/4885AGXT 3649/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 TAAR1 3012/4885IDO1 2325/4885AGXT 1294/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 TAAR1 2521/4885IDO1 2037/4885AGXT 838/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 TAAR1 3421/4885IDO1 2560/4885AGXT 1019/4885

“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.