SCHEMBL640278

SCHEMBL640278

O=C(C(c1ccccc1)n1c(=O)n(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.45
LSS P48449 1/20 0.42
CYP3A4 P08684 5/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F10 P00742 4/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
AKR1C3 P42330 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TP53 P04637 1/20 0.38

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 0.94 CYP3A4 (0.47) CHRM1LSSCYP3A4LMNATSHR
SCHEMBL641231 0.92 MAPK1 (0.42) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL639903 0.92 CYP3A4 (0.39) CHRM1LSSCYP3A4LMNATSHR
SCHEMBL641589 0.91 CHRM1 (0.39) CHRM1LSSCYP3A4LMNATSHR
SCHEMBL641266 0.90 CHRM1 (0.40) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL640149 0.90 MAPT (0.41) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL640089 0.89 MAPK1 (0.42) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL640763 0.89 CHRM1 (0.40) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL641805 0.89 F10 (0.39) CHRM1CYP3A4LMNATSHRMAPK1
SCHEMBL640444 0.88 F10 (0.42) CHRM1CYP3A4LMNATSHRMAPK1

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 4 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

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 112/4885LSS 2884/4885CYP3A4 2218/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885LSS 2884/4885CYP3A4 2218/4885

“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.