Sugi Predict

Sugi Predict / Compounds / SCHEMBL642642

SCHEMBL642642

SCHEMBL642642

COc1cc(C)ccc1S(=O)(=O)n1c(=O)n(C(C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RBP4 P02753 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ F10 P00742 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL643060 0.93 AVPR1B (0.42) MEN1KMT2ARBP4LMNATSHR
SCHEMBL641077 0.93 CHRM1 (0.40) RBP4LMNATSHRMAPK1RECQL
SCHEMBL638734 0.90 AVPR1B (0.42) MEN1KMT2ARBP4LMNATSHR
SCHEMBL639809 0.89 AVPR1B (0.40) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL640572 0.88 ROCK2 (0.45) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL640723 0.86 AVPR1B (0.43) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL641231 0.85 MAPK1 (0.42) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL641645 0.85 ROCK2 (0.44) MAPK1RECQLMAPTTP53F10
SCHEMBL640278 0.85 CHRM1 (0.45) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL639771 0.83 AVPR1B (0.51) MAPK1MAPTTP53ROCK2AVPR1B

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 POLB 4027/4885MEN1 43/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A POLB 4027/4885MEN1 43/4885KMT2A 4356/4885

“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.