SCHEMBL6594503

SCHEMBL6594503

CCc1c(C(=O)O)[nH]c2ccc(OC)c(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
PRNP P04156 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
POLB P06746 1/20 0.46
MET P08581 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR17 Q13304 3/20 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
SCHEMBL11746338 0.85 CYP2C9 (0.47) MAPTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL8795136 0.82 MAPT (0.44) MAPTCYP2C9POLBMETKMT2A
SCHEMBL19330952 0.82 MEN1 (0.48) MAPTPOLBMETKMT2AMEN1
SCHEMBL8959566 0.81 PRNP (0.48) MAPTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL3001361 0.76 AKR1C2 (0.53) MAPTCYP1A2CYP2C19POLBMET
SCHEMBL23000272 0.75 PRNP (0.55) MAPTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL27889099 0.73 LMNA (0.47) METKDM4EALDH1A1HSD17B10LMNA
SCHEMBL19331259 0.72 KDM4E (0.46) MAPTPOLBMETKMT2AMEN1
SCHEMBL3830749 0.71 MAPT (0.46) MAPTCYP2C9POLBKMT2AMEN1
SCHEMBL31145912 0.70 MET (0.43) MAPTMETKMT2AMEN1KDM4E

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-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
US-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 MAPT 3505/4885PRNP 2981/4885CYP1A2 1314/4885

“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.