SCHEMBL4075858

SCHEMBL4075858

Clc1ccc(-c2nc[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
IDO1 P14902 5/20 0.59
MAPK14 Q16539 5/20 0.56
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
RAF1 P04049 1/20 0.56
MAPK9 P45984 1/20 0.56
BRAF P15056 1/20 0.51
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
BRD4 O60885 1/20 0.43
GCGR P47871 1/20 0.42
AKT2 P31751 2/20 0.42
TGFBR1 P36897 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39

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
SCHEMBL10397990 0.93 KDM4E (0.79) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL11055348 0.87 KDM4E (0.50) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL4076011 0.81 IDO1 (0.49) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL10992179 0.79 MAPK14 (0.83) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL11834419 0.79 KDM4E (0.64) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL8011383 0.79 KDM4E (0.64) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL12491361 0.79 CYP3A4 (0.64) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL8119923 0.79 KDM4E (0.64) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL224770 0.78 KDM4E (1.00) KDM4ECYP3A4MAPTIDO1MAPK14
SCHEMBL11853918 0.78 KDM4E (0.49) KDM4ECYP3A4MAPTIDO1MAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed
US-4503065-A ANTIARTHRITIC, ANALGESIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-03-05 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 KDM4E 1781/4885CYP3A4 2044/4885MAPT 599/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 KDM4E 1781/4885CYP3A4 2044/4885MAPT 599/4885

“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.