SCHEMBL3985090

SCHEMBL3985090

NC(Cc1nccn1Cc1cc(Cl)cc(Cl)c1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ KCNA5 P22460 6/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KCND3 Q9UK17 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
Hydrochloric Acid SCHEMBL28974280 0.81 CYP19A1 (0.45) KCNA5KCNH2KCND3CYP19A1TACR1
SCHEMBL3977346 0.74 HSP90AA1 (0.47) HSP90AA1HSP90B1CYP3A4CYP2D6
SCHEMBL3985095 0.74 CYP1A2 (0.50) HSP90AA1HSP90B1CYP2D6
SCHEMBL13720308 0.70 MAPT (0.45) HSP90AA1HSP90B1KCNH2CYP3A4CYP2D6
SCHEMBL3987205 0.70 HSP90AA1 (0.47) HSP90AA1HSP90B1ADRA1DCYP3A4CYP2D6
SCHEMBL3162964 0.70 CYP1A2 (0.49) HSP90AA1HSP90B1CYP2D6
SCHEMBL3977259 0.69 HSP90AA1 (0.49) HSP90AA1HSP90B1
SCHEMBL3979814 0.69 KCNH2 (0.50) HSP90AA1HSP90B1KCNH2
Hydrochloric Acid SCHEMBL3979066 0.69 MAPT (0.44) HSP90AA1HSP90B1KCNH2CYP3A4CYP2D6
SCHEMBL20476844 0.67 CYP3A4 (0.50) KCNH2CYP19A1P2RX7SLC6A4CYP3A4

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 8 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
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 557/4885KCNA5 3365/4885

“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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