SCHEMBL642334

SCHEMBL642334

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
ROCK2 O75116 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LSS P48449 1/20 0.39
HSD11B1 P28845 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL641231 0.92 MAPK1 (0.42) MAPK1ALDH1A1PKMGAAGPBAR1
SCHEMBL640089 0.92 MAPK1 (0.42) MAPK1ALDH1A1PKMGAAGPBAR1
SCHEMBL643055 0.92 MAPK1 (0.42) MAPK1ALDH1A1PKMGAAGPBAR1
SCHEMBL640193 0.90 AVPR1B (0.43) MAPK1ALDH1A1PKMGAAGPBAR1
SCHEMBL641645 0.88 ROCK2 (0.44) MAPK1ALDH1A1GAAGPBAR1ROCK2
SCHEMBL640444 0.87 F10 (0.42) MAPK1ALDH1A1PKMGAAROCK2
SCHEMBL641245 0.85 ROCK2 (0.47) MAPK1ALDH1A1PKMGAAROCK2
SCHEMBL641164 0.85 ALDH1A1 (0.46) MAPK1ALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL641516 0.83 AVPR1B (0.48) MAPK1ALDH1A1PKMGAAGPBAR1
SCHEMBL640845 0.82 AVPR1B (0.42) ALDH1A1PKMGAAROCK2SMN1; SMN2

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 MAPK1 2454/4885ALDH1A1 586/4885PKM 1171/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPK1 2454/4885ALDH1A1 586/4885PKM 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.