Sugi Predict

Sugi Predict / Compounds / SCHEMBL640193

SCHEMBL640193

SCHEMBL640193

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 9/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ OGT O15294 1/20 0.36

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
SCHEMBL639653 0.93 F10 (0.39) AVPR1BSMN1; SMN2GAAP2RX7
SCHEMBL639771 0.90 AVPR1B (0.51) AVPR1BMAPK1ROCK2GPBAR1GAA
SCHEMBL639916 0.90 AVPR1B (0.41) AVPR1BMAPK1SMN1; SMN2ROCK2ALDH1A1
SCHEMBL642334 0.90 MAPK1 (0.46) MAPK1SMN1; SMN2ROCK2ALDH1A1PKM
SCHEMBL643055 0.89 MAPK1 (0.42) MAPK1SMN1; SMN2ROCK2ALDH1A1PKM
SCHEMBL641231 0.89 MAPK1 (0.42) AVPR1BMAPK1SMN1; SMN2ROCK2ALDH1A1
SCHEMBL639903 0.88 CYP3A4 (0.39) MAPK1
SCHEMBL640089 0.86 MAPK1 (0.42) AVPR1BMAPK1SMN1; SMN2ROCK2ALDH1A1
SCHEMBL641820 0.86 LSS (0.39) MAPK1GAAP2RX7
SCHEMBL641479 0.86 CCR6 (0.44) ALDH1A1MEN1KMT2AP2RX7

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 AVPR1B 2/4885MAPK1 2454/4885SMN1; SMN2 3474/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885MAPK1 2454/4885SMN1; SMN2 3474/4885

“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.