Sugi Predict

Sugi Predict / Compounds / SCHEMBL640261

SCHEMBL640261

SCHEMBL640261

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ncncn4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34

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 0.89 ALDH1A1 (0.46) PPARGPPARAPKMMEN1KMT2A
SCHEMBL641231 0.89 MAPK1 (0.42) PPARGPPARAPKMMEN1KMT2A
SCHEMBL641163 0.88 ALDH1A1 (0.48) PKMMEN1KMT2AMAPK1ALDH1A1
SCHEMBL642204 0.88 PPARG (0.42) PPARGPPARAPKMMEN1KMT2A
SCHEMBL641120 0.88 PPARG (0.43) PPARGPPARAPKMMEN1KMT2A
SCHEMBL639656 0.88 PPARG (0.43) PPARGPPARAPKMMEN1KMT2A
SCHEMBL641516 0.87 AVPR1B (0.48) PKMMAPK1ALDH1A1LMNATSHR
SCHEMBL641108 0.87 MEN1 (0.43) PPARGPPARAPKMMEN1KMT2A
SCHEMBL640089 0.86 MAPK1 (0.42) PPARGPPARAPKMMEN1KMT2A
SCHEMBL640576 0.85 LMNA (0.42) PPARGPPARAMEN1KMT2AALDH1A1

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 4 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

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 PPARG 1201/4885PPARA 1651/4885PKM 1171/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PPARG 1201/4885PPARA 1651/4885PKM 1171/4885

“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.