SCHEMBL8567773

SCHEMBL8567773

CCc1cc(N)cc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30345292 1.00 IDO1 (0.37) IDO1MAPTGAANOS3NOS1
SCHEMBL7042571 0.82 NOS3 (0.41) MAPTNOS3NOS1NOS2PTGS2
SCHEMBL1437868 0.82 PTGS2 (0.39) IDO1MAPTPTGS2TP53TAAR1
SCHEMBL811745 0.82 IDO1 (0.44) IDO1MAPTNOS3NOS1NOS2
SCHEMBL397098 0.82 NOS3 (0.41) MAPTGAANOS3NOS1NOS2
SCHEMBL24661052 0.78 IDO1 (0.38) IDO1MAPTGAAALDH1A1TSHR
SCHEMBL11437281 0.78 IDO1 (0.43) IDO1MAPTGAAALDH1A1ALOX15
Nitrogen SCHEMBL28571594 0.77 NOS3 (0.38) MAPTNOS3NOS1NOS2PTGS2
Nitrogen SCHEMBL27562848 0.77 PTGS2 (0.36) IDO1MAPTPTGS2TP53TAAR1
SCHEMBL12671466 0.76 IDO1 (0.37) IDO1MAPTGAAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 US disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5606063-A NMDA antagonists MERRELL PHARMACEUTICALS INC. (US) 1997-02-25 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0573562-B1 Dihydroquinoline NMDA antagonists MERRELL PHARMA INC (US) 1996-04-24 EP disclosed
EP-0573562-A1 NMDA ANTAGONISTS. MERRELL DOW PHARMA (US) 1993-12-15 EP disclosed
US-5270309-A Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LIMITED (GB) 1993-12-14 US disclosed
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
WO-1992015565-A1 NMDA ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-17 WO disclosed
EP-0303387-A1 Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1989-02-15 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 (3 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-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE IDO1 5/4885MAPT 421/4885GAA 961/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 IDO1 12/4885MAPT 168/4885GAA 1359/4885
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK2, RIPK1, RIPK3 IDO1 3917/4885MAPT 2467/4885GAA 1907/4885

“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.