SCHEMBL5497638

SCHEMBL5497638

Cc1ccc(NC(=O)N(C=O)c2ccc3c(c2)OCCO3)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDH1 O75874 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 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
SCHEMBL5781087 0.94 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5495228 0.91 TRPV1 (0.44) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5488751 0.89 MAOB (0.45) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5493794 0.88 KDR (0.48) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5497611 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5487882 0.84 NPC1 (0.52) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5492133 0.84 TRPV1 (0.54) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL5782111 0.82 UBE2M (0.50) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5487282 0.82 TRPV1 (0.46) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL6769886 0.82 TRPV1 (0.59) NPC1RAB9AMEN1KMT2ATRPV1

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 5 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
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US 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

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 3267/4885MEN1 2382/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 686/4885RAB9A 3249/4885MEN1 2483/4885

“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.