SCHEMBL5495173

SCHEMBL5495173

N#Cc1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 3/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 3/20 0.42
HTT P42858 1/20 0.42
GPR142 Q7Z601 3/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL5779652 0.94 NPC1 (0.49) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5492438 0.89 NPC1 (0.44) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5494106 0.84 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5491134 0.84 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5491158 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5496710 0.84 MAOB (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5779945 0.83 RAB9A (0.44) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL5493814 0.83 NPC1 (0.45) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5494712 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL5495090 0.81 MAPT (0.52) NPC1RAB9AMAPTMAOBLMNA

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
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
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 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
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

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 NPC1 877/4885RAB9A 3267/4885ALDH1A1 2397/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885RAB9A 3249/4885ALDH1A1 2365/4885

“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.