SCHEMBL6076594

SCHEMBL6076594

Clc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
EPHX2 P34913 2/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
PDE4A P27815 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
HTT P42858 1/20 0.57
PDE3A Q14432 1/20 0.57
NLRP3 Q96P20 1/20 0.57
TP53 P04637 1/20 0.52
RAPGEF4 Q8WZA2 1/20 0.52
POLA1 P09884 1/20 0.46
P2RY1 P47900 1/20 0.46
SOS1 Q07889 1/20 0.44

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
SCHEMBL12614443 0.90 RAPGEF4 (0.59) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL331059 0.84 ALDH1A1 (0.59) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL331037 0.82 RAPGEF4 (0.48) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL29113772 0.82 HSD17B10 (0.56) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL11547302 0.82 CYP3A4 (0.56) EPHX1EPHX2LMNAHTTRAPGEF4
SCHEMBL1686571 0.82 LMNA (0.57) MEN1NPC1KMT2ALMNAADORA3
SCHEMBL9516529 0.82 LMNA (0.57) MEN1NPC1KMT2ALMNAADORA3
SCHEMBL6351833 0.80 FADS1 (0.49) EPHX1EPHX2MEN1KMT2ALMNA
SCHEMBL10569557 0.80 LMNA (0.54) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL13945713 0.77 RAPGEF4 (0.49) EPHX1EPHX2MEN1NPC1KMT2A

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-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US claimed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US claimed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP claimed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-6936607-B2 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNOBECK A/S (DK) 2005-08-30 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 EPHX1 941/4885EPHX2 1366/4885MEN1 3631/4885

“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.