Sugi Predict

Sugi Predict / Compounds / SCHEMBL639870

SCHEMBL639870

SCHEMBL639870

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ CHRM2 P08172 1/20 0.35

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
SCHEMBL639871 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL641743 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL641172 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL640662 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL642079 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL640751 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL642038 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL641401 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL640692 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL640296 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2APPARG

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 4508/4885MEN1 43/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885MEN1 43/4885

“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.