SCHEMBL5487630

SCHEMBL5487630

O=CN(C(=O)Nc1cccc(OC(F)(F)F)c1)c1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRAF P15056 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KDR P35968 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX1 P51575 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL5778737 0.84 NPC1 (0.43) HTTSMN1; SMN2BRAFALDH1A1MAPT
SCHEMBL5493967 0.84 TP53 (0.51) HTTMEN1KMT2ABRAFALDH1A1
SCHEMBL5495788 0.79 NPC1 (0.45) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5780016 0.79 NPC1 (0.47) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5489392 0.78 MAPT (0.43) HTTMEN1KMT2ASMN1; SMN2BRAF
SCHEMBL5487600 0.77 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5492664 0.75 CNR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5496800 0.75 CASR (0.42) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL28741342 0.74 MEN1 (0.65) HTTMEN1KMT2ASMN1; SMN2BRAF
SCHEMBL5489684 0.74 BRAF (0.49) HTTMEN1KMT2ABRAFALDH1A1

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 9 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 claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 HTT 4419/4885MEN1 2382/4885KMT2A 4655/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 HTT 4152/4885MEN1 2483/4885KMT2A 4673/4885

“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.