SCHEMBL3977346

SCHEMBL3977346

NCC(Cc1ccccc1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ KLK6 Q92876 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3987205 0.81 HSP90AA1 (0.47) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3977259 0.80 HSP90AA1 (0.49) HSP90AA1ALDH1A1KMT2ACYP1A2HSP90AB1
SCHEMBL5732757 0.75 HSP90AA1 (0.50) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3979802 0.75 HSP90AA1 (0.51) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3981414 0.75 HSP90AA1 (0.51) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3984795 0.75 HSP90AA1 (0.45) HSP90AA1KMT2AMEN1HSP90AB1HSP90B1
SCHEMBL3985090 0.74 HSP90AA1 (0.39) HSP90AA1CYP3A4CYP2D6HSP90B1
SCHEMBL3985913 0.74 HSP90AA1 (0.50) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3986625 0.74 HSP90AA1 (0.49) HSP90AA1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3979190 0.73 HSP90AA1 (0.42) 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 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
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
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 675/4885ALDH1A1 421/4885KMT2A 2447/4885

“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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