SCHEMBL4036746

SCHEMBL4036746

ON=C(c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.65
NPFFR2 Q9Y5X5 1/20 0.65
HPGD P15428 3/20 0.50
GFER P55789 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
SRD5A2 P31213 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 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
SCHEMBL4036744 1.00 NPFFR1 (0.65) NPFFR1NPFFR2HPGDGFERALDH1A1
SCHEMBL28341134 0.81 HPGD (0.68) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL874443 0.79 GFER (0.58) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL29509920 0.78 GFER (0.57) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL27961040 0.78 HPGD (0.64) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL273196 0.78 HPGD (0.64) HPGDGFERALDH1A1TSHRKMT2A
Water SCHEMBL9518556 0.76 HPGD (0.61) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL28351690 0.74 HPGD (0.52) HPGDGFERALDH1A1KMT2ASMN1; SMN2
SCHEMBL17988323 0.74 HPGD (0.52) HPGDGFERALDH1A1TSHRKMT2A
SCHEMBL17548937 0.73 ESR1 (0.59) HPGDGFERALDH1A1KMT2AMAPT

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-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS VAN LOMMEN GUY ROSALIA EUGEEN 2009-07-30 US disclosed
US-7511068-B2 Mercaptoimidazoles as CCR2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-31 US disclosed
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists LOMMEN GUY R E 2007-07-19 US disclosed
EP-1778646-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-02 EP disclosed
US-20060058289-A1 Mercaptoimidazoles as ccr2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
WO-2006015986-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-16 WO disclosed
EP-1592670-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-09 EP disclosed
WO-2004069810-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-19 WO disclosed
WO-2004069809-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-19 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 (3 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-20060058289-A1 Mercaptoimidazoles as ccr2 receptor antagonists CCR2, CCR5, CXCR3 NPFFR1 289/4885NPFFR2 278/4885HPGD 800/4885
US-20070167456-A1 Mercaptoimidazoles as ccr2 receptor antagonists CCR2, CCR1, CCR5 NPFFR1 412/4885NPFFR2 882/4885HPGD 1963/4885
US-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR1, CXCR3 NPFFR1 507/4885NPFFR2 1181/4885HPGD 1557/4885

“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.