SCHEMBL3980911

SCHEMBL3980911

Fc1ccccc1CNCc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.46
▸ HSP90B1 P14625 2/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL3986917 0.91 HSP90AA1 (0.38) HSP90AA1HSP90B1CYP1A2CYP2C9CYP2C19
SCHEMBL3979725 0.88 HSP90AA1 (0.39) HSP90AA1HSP90B1L3MBTL1KMT2AMEN1
SCHEMBL3985965 0.88 TP53 (0.45) HSP90AA1HSP90B1CYP2C9CYP2C19L3MBTL1
SCHEMBL3980435 0.85 HSP90AA1 (0.48) HSP90AA1HSP90B1L3MBTL1ALDH1A1KDM4E
SCHEMBL3979802 0.84 HSP90AA1 (0.51) HSP90AA1HSP90B1CYP1A2CYP2C9CYP2C19
SCHEMBL3980220 0.83 HSP90AA1 (0.38) HSP90AA1HSP90B1
SCHEMBL3978844 0.83 HSP90AA1 (0.50) HSP90AA1HSP90B1CYP1A2CYP2C9CYP2C19
SCHEMBL3986843 0.82 HSP90AA1 (0.45) HSP90AA1HSP90B1CYP1A2CYP2C19LMNA
SCHEMBL3977370 0.81 HSP90AA1 (0.47) HSP90AA1HSP90B1CYP1A2CYP2C19ALDH1A1
SCHEMBL3981914 0.81 HSP90AA1 (0.37) HSP90AA1HSP90B1

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 4 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
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US 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 557/4885CYP1A2 181/4885

“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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