SCHEMBL640733

SCHEMBL640733

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)NCCCN3CCNCC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 2/20 0.38
CCR1 P32246 1/20 0.38
HTR6 P50406 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL640080 0.96 HTR4 (0.39) PPARGPPARAITGB3ITGA2BMAPK8
SCHEMBL3985580 0.93 HTR6 (0.42) PPARGPPARADRD2DRD3KMT2A
SCHEMBL641542 0.92 DRD2 (0.40) PPARGPPARADRD2DRD3KMT2A
SCHEMBL642820 0.92 KMT2A (0.41) PPARGPPARADRD2DRD3KMT2A
SCHEMBL641287 0.92 KMT2A (0.46) KMT2AALDH1A1NPC1
SCHEMBL640002 0.88 GAA (0.42) PPARGPPARAKMT2AHTR6ALOX12
SCHEMBL641191 0.88 HTR6 (0.43) PPARGPPARAKMT2AHTR6ALOX12
SCHEMBL641402 0.88 ALDH1A1 (0.42) PPARGPPARAKMT2AHTR6ALOX12
SCHEMBL641391 0.88 ALOX12 (0.41) PPARGPPARADRD2KMT2AHTR6
SCHEMBL640892 0.87 PPARG (0.44) PPARGPPARAKMT2AMAPTALDH1A1

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 4 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

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 PPARG 1201/4885PPARA 1651/4885ITGB3 2807/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PPARG 1201/4885PPARA 1651/4885ITGB3 2807/4885

“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.