SCHEMBL5497578

SCHEMBL5497578

CCc1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TP53 P04637 4/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5779480 0.94 RAB9A (0.64) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL5491134 0.86 NPC1 (0.59) RAB9AMAPTKMT2ATRPV1NPC1
SCHEMBL5494712 0.85 NPC1 (0.53) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5491157 0.85 RAB9A (0.58) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL5491158 0.84 NPC1 (0.45) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL5494106 0.84 NPC1 (0.59) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL5496710 0.84 MAOB (0.59) RAB9AMAPTMEN1KMT2ATRPV1
SCHEMBL5495586 0.83 TRPV1 (0.53) RAB9AMAPTMEN1KMT2ATRPV1
SCHEMBL5489136 0.83 TRPV1 (0.46) RAB9AMAPTMEN1KMT2ATRPV1
SCHEMBL5493814 0.83 NPC1 (0.45) RAB9AMAPTMEN1KMT2ANPC1

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 7 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
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 RAB9A 3267/4885MAPT 2283/4885MEN1 2382/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3249/4885MAPT 1663/4885MEN1 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.