SCHEMBL3978481

SCHEMBL3978481

CC(C)(C)OC(=O)Nc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 2/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ CYP17A1 P05093 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ PTGER1 P34995 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ YTHDC1 Q96MU7 2/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL27529178 0.79 CYP17A1 (0.43) FPR2CYP17A1ATRPTGDR2
SCHEMBL3980885 0.75 FDPS (0.50) PTGER1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL15742209 0.72 FDPS (0.43) CYP17A1ATR
SCHEMBL24509637 0.71 CYP17A1 (0.39) FPR2CYP17A1ATR
SCHEMBL13326810 0.70 ATR (0.40) CYP17A1ATR
SCHEMBL27576229 0.70 LMNA (0.39) FPR2CYP17A1ATRPTGDR2LMNA
SCHEMBL4476784 0.69 BRD4 (0.51) CYP17A1P2RX7SMN1; SMN2LMNANPC1
SCHEMBL26086457 0.69 BRD4 (0.39) CYP17A1ATRPTGDR2LMNANPC1
SCHEMBL5879121 0.68 L3MBTL1 (0.47) CYP17A1ATRSMN1; SMN2LMNARAB9A
SCHEMBL27576216 0.68 FPR2 (0.42) FPR2CYP17A1PTGER1PTGDR2LMNA

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 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
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 MC1R 1988/4885FPR2 213/4885CYP17A1 399/4885

“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.

Send feedback