SCHEMBL4080406

SCHEMBL4080406

Clc1ccc(-c2nc[nH]c2-c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
IDO1 P14902 1/20 0.45
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
AHR P35869 1/20 0.40
TP53 P04637 1/20 0.40
HSD11B1 P28845 1/20 0.40
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL4076011 0.88 IDO1 (0.49) DPP4DPP8IDO1MAPTAHR
SCHEMBL15444885 0.81 HSD11B1 (0.46) DPP4DPP8MAPTHPGDAHR
SCHEMBL8105110 0.78 ALDH1A1 (0.50) DPP4IDO1MAPTHPGDTP53
SCHEMBL5089273 0.77 LMNA (0.45) MAPTHSP90AB1NPC1CYP1A2CYP2C19
SCHEMBL5089221 0.74 MAPT (0.39) DPP4DPP8MAPTHPGDHSP90AB1
SCHEMBL16295557 0.72 GPBAR1 (0.46) IDO1MAPTTP53ALDH1A1NPC1
SCHEMBL3949786 0.71 GUSB (0.43) DPP4IDO1MAPTHPGDAHR
SCHEMBL3354023 0.71 HPGD (0.45) MAPTHPGDAHRTP53HSD11B1
SCHEMBL4089680 0.71 DPP4 (0.46) DPP4DPP8MAPTHPGDHSP90AB1
SCHEMBL4695701 0.70 IDO1 (0.44) IDO1MAPTHPGDALDH1A1CYP1A2

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
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

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 DPP4 3477/4885DPP8 3882/4885IDO1 134/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 DPP4 3477/4885DPP8 3882/4885IDO1 134/4885

“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.