SCHEMBL640986

SCHEMBL640986

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 1/20 0.37
F10 P00742 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AVPR1B P47901 5/20 0.35
AVPR1A P37288 3/20 0.35
OXTR P30559 2/20 0.35
AVPR2 P30518 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL640222 0.97 KMT2A (0.38) KMT2AMEN1GAAALDH1A1MAPK1
SCHEMBL641819 0.97 CHRM2 (0.38) KMT2AMEN1GAAALDH1A1MAPK1
SCHEMBL640137 0.93 KMT2A (0.38) KMT2AMEN1GAAALDH1A1MAPK1
SCHEMBL640232 0.93 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPK1CHRM2
SCHEMBL642071 0.93 CHRM2 (0.39) KMT2AALDH1A1MAPK1CHRM2F10
SCHEMBL642038 0.90 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1CHRM2
SCHEMBL639686 0.90 CHRM2 (0.41) KMT2AALDH1A1MAPK1CHRM2F10
SCHEMBL640967 0.90 AVPR1B (0.37) KMT2AALDH1A1MAPK1CHRM2F10
SCHEMBL641894 0.87 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1CHRM2
SCHEMBL640662 0.87 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1CHRM2

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 KMT2A 4356/4885MEN1 43/4885GAA 1794/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KMT2A 4356/4885MEN1 43/4885GAA 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.