SCHEMBL640509

SCHEMBL640509

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CC[C@H](N4CCN(Cc5ccccc5)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 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
SCHEMBL640510 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKMT2AMMP1
SCHEMBL642077 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKMT2AMMP1
SCHEMBL642091 0.96 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAKMT2AMMP1
SCHEMBL642090 0.96 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAKMT2AMMP1
SCHEMBL641619 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EPRMT5WDR77TSHR
SCHEMBL640753 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EPRMT5WDR77TSHR
SCHEMBL640754 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EPRMT5WDR77TSHR
SCHEMBL641118 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2PRMT5
SCHEMBL641097 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2PRMT5
SCHEMBL641096 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2PRMT5

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 586/4885KDM4E 4508/4885LMNA 886/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885LMNA 886/4885

“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.