SCHEMBL641163

SCHEMBL641163

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
HSD17B10 Q99714 7/20 0.48
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB2 P07550 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL641164 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10KMT2AALOX15SMN1; SMN2
SCHEMBL641231 0.89 MAPK1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL640261 0.88 PPARG (0.38) ALDH1A1KMT2AADRB2SMN1; SMN2MEN1
SCHEMBL642204 0.88 PPARG (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL639656 0.88 PPARG (0.43) ALDH1A1KMT2AMEN1TSHRPKM
SCHEMBL641120 0.88 PPARG (0.43) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL641516 0.87 AVPR1B (0.48) ALDH1A1SMN1; SMN2CYP3A4NPSR1TSHR
SCHEMBL641108 0.87 MEN1 (0.43) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL640089 0.86 MAPK1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL640576 0.85 LMNA (0.42) ALDH1A1HSD17B10KDM4EKMT2ASMN1; SMN2

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 586/4885HSD17B10 1752/4885KDM4E 4508/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885HSD17B10 1752/4885KDM4E 4508/4885

“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.