SCHEMBL3981441

SCHEMBL3981441

O=C(NCCN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.43
▸ HSP90B1 P14625 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TMEM97 Q5BJF2 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL3983787 0.89 HSP90AA1 (0.47) HSP90AA1HSP90B1LMNAGPR52WDR5
SCHEMBL3986911 0.87 HSP90AA1 (0.46) HSP90AA1HSP90B1LMNASMN1; SMN2CDK9
SCHEMBL3980102 0.87 HSP90AA1 (0.47) HSP90AA1HSP90B1LMNARAB9ANR3C1
SCHEMBL3982566 0.84 HSP90AA1 (0.45) HSP90AA1HSP90B1SMN1; SMN2CCNT1CDK9
SCHEMBL3984837 0.82 HSP90AA1 (0.45) HSP90AA1HSP90B1HSP90AB1OPRD1OPRK1
SCHEMBL13720182 0.81 HSP90AA1 (0.42) HSP90AA1HSP90B1CDK9MEN1KMT2A
SCHEMBL3978717 0.80 HSP90AA1 (0.46) HSP90AA1HSP90B1HSP90AB1OPRD1OPRK1
SCHEMBL3978850 0.80 HSP90AA1 (0.43) HSP90AA1HSP90B1CDK9MEN1KMT2A
SCHEMBL3981174 0.80 HSP90B1 (0.52) HSP90AA1HSP90B1WDR5HSP90AB1OPRD1
SCHEMBL3979505 0.77 HSP90AA1 (0.42) HSP90AA1HSP90B1MEN1KMT2AOPRD1

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
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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — 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 557/4885LMNA 3170/4885

“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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