SCHEMBL3034826

SCHEMBL3034826

COc1cc(NC(=O)Cn2cnc3cccc(S(C)(=O)=O)c32)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 3/20 0.42
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 6/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KDR P35968 1/20 0.41
GAA P10253 1/20 0.40
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
DDT P30046 1/20 0.39

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
SCHEMBL4974192 0.88 RXFP1 (0.47) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4975964 0.87 RXFP1 (0.48) RXFP1LMNARAF1BRAFPOLB
SCHEMBL3042696 0.86 RXFP1 (0.47) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4465214 0.86 RXFP1 (0.47) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4974004 0.86 RXFP1 (0.47) RXFP1RAF1BRAFPOLBMAPT
SCHEMBL4977861 0.86 RXFP1 (0.47) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4462916 0.86 RXFP1 (0.47) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4976395 0.85 RXFP1 (0.46) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4975749 0.85 RXFP1 (0.46) RXFP1LMNARAF1BRAFPOLB
SCHEMBL4972985 0.85 RXFP1 (0.46) RXFP1LMNARAF1BRAFPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US claimed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI RXFP1 1387/4885LMNA 671/4885RAF1 1210/4885

“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.