SCHEMBL5492664

SCHEMBL5492664

O=CN(C(=O)Nc1cccc(-c2ccsc2)c1)c1ccc2nccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PNPLA2 Q96AD5 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
FYN P06241 1/20 0.38
ATM Q13315 1/20 0.37
TGFBR1 P36897 2/20 0.37
BAZ1A Q9NRL2 1/20 0.35

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
SCHEMBL5496800 0.86 CASR (0.42) MAPTKDM4EALDH1A1PNPLA2HDAC6
SCHEMBL5487600 0.84 HDAC6 (0.46) MAPTKDM4EALDH1A1PNPLA2HDAC6
SCHEMBL5492633 0.79 CNR1 (0.44) CNR1MAPTKDM4EALDH1A1PNPLA2
SCHEMBL5781432 0.79 CNR1 (0.44) CNR1MAPTKDM4EALDH1A1PNPLA2
SCHEMBL5493967 0.77 TP53 (0.51) MAPTALDH1A1TP53KMT2ARAB9A
SCHEMBL5487630 0.75 HTT (0.47) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL27529576 0.74 CNR1 (0.53) CNR1MAPTKDM4EALDH1A1HDAC6
SCHEMBL5489392 0.71 MAPT (0.43) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL5781880 0.69 CASR (0.43) CNR1MAPTKDM4EALDH1A1TP53
SCHEMBL5489115 0.69 CASR (0.45) MAPTKDM4EALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US disclosed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 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 (1 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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CNR1 330/4885MAPT 1663/4885KDM4E 4714/4885

“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.