SCHEMBL641266

SCHEMBL641266

O=C(C(c1ccccc1)n1c(=O)n(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
CYP3A4 P08684 6/20 0.39
F10 P00742 3/20 0.39
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTR1A P08908 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL641636 0.92 CYP3A4 (0.47) CHRM1CYP3A4F10TRPV1LMNA
SCHEMBL641231 0.91 MAPK1 (0.42) CHRM1CYP3A4F10LMNATSHR
SCHEMBL640278 0.90 CHRM1 (0.45) CHRM1CYP3A4F10TRPV1LMNA
SCHEMBL640089 0.88 MAPK1 (0.42) CHRM1CYP3A4F10LMNATSHR
SCHEMBL640444 0.87 F10 (0.42) CHRM1CYP3A4F10LMNATSHR
SCHEMBL639903 0.86 CYP3A4 (0.39) CHRM1CYP3A4F10LMNATSHR
SCHEMBL641164 0.85 ALDH1A1 (0.46) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL641245 0.85 ROCK2 (0.47) CHRM1CYP3A4F10LMNATSHR
SCHEMBL641589 0.84 CHRM1 (0.39) CHRM1CYP3A4F10TRPV1LMNA
SCHEMBL641516 0.83 AVPR1B (0.48) CYP3A4LMNATSHRMAPK1RECQL

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885CYP3A4 2218/4885F10 276/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885CYP3A4 2218/4885F10 276/4885

“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.