SCHEMBL1719052

SCHEMBL1719052

Clc1ccc(-c2nc(I)c(I)[nH]2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
HRH1 P35367 1/20 0.44
CXCR2 P25025 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 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
SCHEMBL7808570 0.71 AHR (0.45) AHRMAPK13RAF1MAPK12MAPK11
SCHEMBL13406021 0.71 ALDH1A1 (0.50) NPC1RAB9AKDM4EMEN1USP2
SCHEMBL17801679 0.71 GAA (0.48) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL3205888 0.69 ALDH1A1 (0.63) NPC1RAB9AKDM4EMEN1USP2
SCHEMBL3205897 0.69 MEN1 (0.81) NPC1RAB9AKDM4EMEN1USP2
SCHEMBL3333810 0.69 NPC1 (0.61) NPC1RAB9AKDM4EMEN1USP2
SCHEMBL31716608 0.68 SLC9A1 (0.35) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL1719774 0.68 MAPK13 (0.49) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL21642885 0.67 ALOX5 (0.56) NPC1RAB9AKDM4EMEN1USP2
SCHEMBL10696178 0.67 ALOX15 (0.45) AHRMAPK13RAF1MAPK12MAPK11

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-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 AHR 531/4885MAPK13 1392/4885RAF1 2268/4885

“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.