SCHEMBL641516

SCHEMBL641516

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4cccnc4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 5/20 0.48
CYP3A4 P08684 3/20 0.45
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38

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 0.93 ALDH1A1 (0.46) LMNAMAPTMAPK1TSHRNPSR1
SCHEMBL641231 0.92 MAPK1 (0.42) AVPR1BCYP3A4LMNAMAPTMAPK1
SCHEMBL640089 0.89 MAPK1 (0.42) AVPR1BCYP3A4LMNAMAPTMAPK1
SCHEMBL640444 0.88 F10 (0.42) CYP3A4LMNAMAPTMAPK1TSHR
SCHEMBL640261 0.87 PPARG (0.38) LMNAMAPTMAPK1TSHRNPSR1
SCHEMBL641163 0.87 ALDH1A1 (0.48) CYP3A4LMNAMAPTMAPK1TSHR
SCHEMBL642204 0.86 PPARG (0.42) MMP1MMP3MMP7MMP9MMP13
SCHEMBL641245 0.86 ROCK2 (0.47) AVPR1BCYP3A4LMNAUSP2MAPT
SCHEMBL639656 0.86 PPARG (0.43) MMP1MMP9MMP13TSHRALDH1A1
SCHEMBL641120 0.86 PPARG (0.43) MMP1MMP9MMP13MAPTTSHR

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 AVPR1B 2/4885CYP3A4 2218/4885MMP1 1827/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885CYP3A4 2218/4885MMP1 1827/4885

“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.