SCHEMBL3983750

SCHEMBL3983750

CC(C)CN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.43
▸ HSP90B1 P14625 2/20 0.43
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ NCOA1 Q15788 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
SCHEMBL3978850 0.88 HSP90AA1 (0.43) HSP90AA1HSP90B1POLBTHRBPDE1A
SCHEMBL3985958 0.85 HSP90AA1 (0.44) HSP90AA1HSP90B1POLBTHRBPDE1A
SCHEMBL13720182 0.84 HSP90AA1 (0.42) HSP90AA1HSP90B1POLBTHRBCYP11B1
SCHEMBL13720814 0.84 HSP90AA1 (0.46) HSP90AA1HSP90B1POLBTHRBPDE1A
SCHEMBL3978717 0.82 HSP90AA1 (0.46) HSP90AA1HSP90B1POLBTHRBALDH1A1
SCHEMBL3981174 0.82 HSP90B1 (0.52) HSP90AA1HSP90B1OPRK1P2RX7
SCHEMBL3980102 0.81 HSP90AA1 (0.47) HSP90AA1HSP90B1OPRK1
SCHEMBL3979518 0.81 HSP90AA1 (0.39) HSP90AA1HSP90B1POLBTHRBPDE1C
SCHEMBL3984837 0.81 HSP90AA1 (0.45) HSP90AA1HSP90B1POLBTHRBALDH1A1
SCHEMBL3983787 0.80 HSP90AA1 (0.47) HSP90AA1HSP90B1ALDH1A1OPRK1

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 claimed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US claimed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — WO claimed
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

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 557/4885TSHR 4347/4885

“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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