SCHEMBL640137

SCHEMBL640137

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3OC)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
AVPR1B P47901 5/20 0.36
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
AVPR2 P30518 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 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
SCHEMBL640986 0.93 KMT2A (0.38) KMT2AMEN1AVPR1BOXTRAVPR1A
SCHEMBL638516 0.92 KDM4E (0.42) KMT2AMEN1GAACHRM2ALDH1A1
SCHEMBL640222 0.90 KMT2A (0.38) KMT2AMEN1AVPR1BOXTRAVPR1A
SCHEMBL641819 0.90 CHRM2 (0.38) KMT2AMEN1AVPR1BOXTRAVPR1A
SCHEMBL640232 0.86 ALDH1A1 (0.39) KMT2AMEN1HRH1CCR3NPC1
SCHEMBL642071 0.86 CHRM2 (0.39) KMT2AAVPR1BAVPR1ANPC1TDP1
SCHEMBL639781 0.85 ALDH1A1 (0.42) KMT2AMEN1AVPR1BGAAALDH1A1
SCHEMBL639633 0.85 HTR6 (0.36) GAADRD2ADRA1DADRA1AADRA1B
SCHEMBL640723 0.84 AVPR1B (0.43) KMT2AMEN1AVPR1BOXTRAVPR1A
SCHEMBL640967 0.83 AVPR1B (0.37) KMT2AAVPR1BAVPR1ANPC1TDP1

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 43/4885AVPR1B 2/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KMT2A 4356/4885MEN1 43/4885AVPR1B 2/4885

“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.