SCHEMBL641402

SCHEMBL641402

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)NCCN3CCN(C(=O)O)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G4A P47712 1/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 2/20 0.38
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
HTR6 P50406 2/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL641542 0.96 DRD2 (0.40) ALDH1A1GAAKMT2APLA2G4AALOX12
SCHEMBL641191 0.95 HTR6 (0.43) ALDH1A1GAAKMT2AMEN1ALOX12
SCHEMBL641391 0.94 ALOX12 (0.41) ALDH1A1GAAKMT2AMEN1ALOX12
SCHEMBL640002 0.93 GAA (0.42) GAAKMT2AMEN1PLA2G4AALOX12
SCHEMBL641517 0.92 MMP13 (0.40) ALDH1A1GAAKMT2AMEN1PLA2G4A
SCHEMBL640080 0.92 HTR4 (0.39) ALDH1A1GAAKMT2AMEN1ALOX12
SCHEMBL3985580 0.91 HTR6 (0.42) ALDH1A1KMT2AALOX12PPARGPPARA
SCHEMBL642820 0.90 KMT2A (0.41) ALDH1A1KMT2AALOX12PPARGPPARA
SCHEMBL640733 0.88 PPARG (0.40) ALDH1A1KMT2AALOX12PPARGPPARA
SCHEMBL641287 0.88 KMT2A (0.46) ALDH1A1KMT2AMEN1

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 ALDH1A1 586/4885GAA 1794/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885GAA 1794/4885KMT2A 4356/4885

“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.