SCHEMBL640097

SCHEMBL640097

O=C(C(c1ccccc1)n1c(=O)n(S(=O)(=O)c2cccc3cccnc23)c2cc(Cl)c(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 8/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL639890 0.93 MAPT (0.49) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL641386 0.88 MAPT (0.45) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL641334 0.84 ALDH1A1 (0.48) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL640609 0.82 AVPR1B (0.47) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL641820 0.80 LSS (0.39) GAAMAPK1TSHRCHRM1CYP3A4
SCHEMBL640278 0.78 CHRM1 (0.45) SMN1; SMN2MAPK1TSHRCHRM1CYP1A2
SCHEMBL641077 0.78 CHRM1 (0.40) MAPTALDH1A1GAAALOX15MAPK1
SCHEMBL641264 0.77 ALDH1A1 (0.45) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL642024 0.76 ALDH1A1 (0.43) MAPTALDH1A1GAASMN1; SMN2ALOX15
SCHEMBL640149 0.75 MAPT (0.41) MAPTALDH1A1SMN1; SMN2MAPK1TSHR

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 MAPT 4368/4885ALDH1A1 586/4885GAA 1794/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPT 4368/4885ALDH1A1 586/4885GAA 1794/4885

“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.