Sugi Predict

Sugi Predict / Compounds / SCHEMBL640002

SCHEMBL640002

SCHEMBL640002

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)NCCN3CCCCC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ PLA2G4A P47712 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CACNA1G O43497 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CCR2 P41597 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
SCHEMBL641191 0.94 HTR6 (0.43) GAAHTR6PPARGPPARAMEN1
SCHEMBL641391 0.93 ALOX12 (0.41) GAAHTR6PPARGPPARAPOLB
SCHEMBL641402 0.93 ALDH1A1 (0.42) GAAPLA2G4AHTR6PPARGPPARA
SCHEMBL640080 0.93 HTR4 (0.39) GAAHTR6PPARGPPARAMEN1
SCHEMBL3985580 0.90 HTR6 (0.42) HTR6PPARGPPARAKMT2AALOX12
SCHEMBL642820 0.89 KMT2A (0.41) RAB9AHTR6PPARGPPARAKMT2A
SCHEMBL641542 0.89 DRD2 (0.40) GAAPLA2G4ARAB9APPARGPPARA
SCHEMBL641517 0.89 MMP13 (0.40) GAAPLA2G4AMEN1KMT2AALOX12
SCHEMBL640733 0.88 PPARG (0.40) RAB9AHTR6PPARGPPARAKMT2A
SCHEMBL641287 0.88 KMT2A (0.46) POLBMEN1KMT2A

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 GAA 1794/4885PLA2G4A 2045/4885RAB9A 3460/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A GAA 1794/4885PLA2G4A 2045/4885RAB9A 3460/4885

“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.