SCHEMBL642071

SCHEMBL642071

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3)c3ccccc32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CHRM1 P11229 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
SCHEMBL639686 0.97 CHRM2 (0.41) CHRM2KMT2AF10NPC1TDP1
SCHEMBL640986 0.93 KMT2A (0.38) CHRM2KMT2AF10NPC1TDP1
SCHEMBL640222 0.93 KMT2A (0.38) CHRM2KMT2AF10NPC1TDP1
SCHEMBL640232 0.93 ALDH1A1 (0.39) CHRM2KMT2AF10NPC1TDP1
SCHEMBL640967 0.91 AVPR1B (0.37) CHRM2KMT2AF10NPC1TDP1
SCHEMBL641819 0.90 CHRM2 (0.38) CHRM2KMT2ANPC1TDP1ALDH1A1
SCHEMBL642490 0.88 ALDH1A1 (0.45) CHRM2KMT2AF10TDP1ALDH1A1
SCHEMBL640137 0.86 KMT2A (0.38) CHRM2KMT2ANPC1TDP1ALDH1A1
SCHEMBL641645 0.82 ROCK2 (0.44) F10TDP1ALDH1A1MAPK1HPGD
SCHEMBL642038 0.82 ALDH1A1 (0.43) CHRM2KMT2AF10ALDH1A1CYP2D6

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 CHRM2 195/4885KMT2A 4356/4885F10 276/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM2 195/4885KMT2A 4356/4885F10 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.