SCHEMBL3977347

SCHEMBL3977347

CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)c1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ GRM2 Q14416 2/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ WDR5 P61964 1/20 0.34

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
SCHEMBL6081384 0.73 MAPK14 (0.43) GRM2KCNQ4KCNQ5BCL2A1
SCHEMBL3978481 0.69 MC1R (0.41) RAB9AMC1ROPRD1LMNAOPRK1
SCHEMBL3065683 0.68 BCL2A1 (0.42) RAB9AGRM2KCNQ4KCNQ5BCL2A1
SCHEMBL3982566 0.67 HSP90AA1 (0.45) HSP90AA1HSP90B1MC1ROPRD1FNTA
SCHEMBL12253205 0.67 GRM2 (0.39) RAB9AGRM2KCNQ4KCNQ5BCL2A1
SCHEMBL3588704 0.65 ALDH1A1 (0.35) RAB9AGRM2MAPTTHRB
SCHEMBL12304144 0.65 KDM4E (0.46) GRM2BCL2A1
SCHEMBL18721166 0.65 KCNQ4 (0.43) HSP90AA1GRM2KCNQ4KCNQ5BCL2A1
SCHEMBL3063916 0.65 KCNQ4 (0.43) HSP90AA1GRM2KCNQ4KCNQ5BCL2A1
Hydrochloric Acid SCHEMBL3588700 0.65 ALDH1A1 (0.34) RAB9AGRM2MAPTTHRB

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-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 HSP90AA1 675/4885HSP90B1 557/4885RAB9A 3760/4885

“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.

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