Sugi Predict

Sugi Predict / Compounds / SCHEMBL642688

SCHEMBL642688

SCHEMBL642688

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCCC(N4CCN(Cc5ccccc5)CC4)C3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OXTR P30559 2/20 0.38
▸ AVPR1A P37288 2/20 0.38
▸ AVPR1B P47901 2/20 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
SCHEMBL639841 0.96 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPK1TSHR
SCHEMBL641409 0.96 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPK1TSHR
SCHEMBL640053 0.96 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPK1TSHR
SCHEMBL640175 0.94 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPK1TSHR
SCHEMBL641825 0.93 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2CHRM1KMT2A
SCHEMBL641172 0.92 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRMMP1MMP9
SCHEMBL642091 0.91 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1MMP1
SCHEMBL642090 0.91 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1MMP1
SCHEMBL642771 0.90 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRMMP1MMP9
SCHEMBL642742 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EMMP1MMP9MMP13

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.