SCHEMBL642074

SCHEMBL642074

COc1ccc(S(=O)(=O)n2c(=O)n(CC(=O)N3CCN(c4ccncc4)CC3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL641778 0.90 MAPT (0.44) HTTMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL641963 0.89 NPSR1 (0.43) F10HTTNPSR1MAPTPOLB
SCHEMBL642355 0.87 PKM (0.49) F10PKMMAPTALDH1A1GAA
SCHEMBL640503 0.87 OPRK1 (0.49) F10PKMALDH1A1GAAKMT2A
SCHEMBL641515 0.87 F10 (0.47) F10POLBALDH1A1LMNA
SCHEMBL640577 0.86 OPRK1 (0.49) F10PKMALDH1A1GAAKMT2A
SCHEMBL642439 0.83 MAPT (0.43) F10HTTNPSR1MAPTSMN1; SMN2
SCHEMBL640444 0.82 F10 (0.42) F10HTTNPSR1PKMMAPT
SCHEMBL641030 0.81 PKM (0.44) F10PKMALDH1A1GAAKMT2A
SCHEMBL641231 0.80 MAPK1 (0.42) F10HTTNPSR1PKMMAPT

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 F10 276/4885HTT 3011/4885NPSR1 105/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885HTT 3011/4885NPSR1 105/4885

“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.