SCHEMBL640089

SCHEMBL640089

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3ccc(Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
F10 P00742 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.39
AVPR1B P47901 1/20 0.39
OGT O15294 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.37

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 0.97 MAPK1 (0.42) MAPK1CYP3A4LMNATSHRRECQL
SCHEMBL640444 0.93 F10 (0.42) MAPK1CYP3A4LMNATSHRNPSR1
SCHEMBL641164 0.92 ALDH1A1 (0.46) MAPK1LMNATSHRRECQLNPSR1
SCHEMBL642334 0.92 MAPK1 (0.46) MAPK1LMNATSHRROCK2ALDH1A1
SCHEMBL641245 0.91 ROCK2 (0.47) MAPK1CYP3A4LMNATSHRRECQL
SCHEMBL638734 0.90 AVPR1B (0.42) MAPK1LMNATSHRRECQLNPSR1
SCHEMBL641516 0.89 AVPR1B (0.48) MAPK1CYP3A4LMNATSHRRECQL
SCHEMBL640278 0.89 CHRM1 (0.45) MAPK1CYP3A4LMNATSHRRECQL
SCHEMBL640845 0.88 AVPR1B (0.42) CYP3A4TSHRNPSR1ROCK2ALDH1A1
SCHEMBL643055 0.88 MAPK1 (0.42) MAPK1LMNATSHRROCK2ALDH1A1

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 MAPK1 2454/4885CYP3A4 2218/4885LMNA 886/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPK1 2454/4885CYP3A4 2218/4885LMNA 886/4885

“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.