SCHEMBL640562

SCHEMBL640562

CCOC(=O)c1ccccc1Cn1c(=O)n(C(=O)OC(C)(C)C)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.41
CRHBP P24387 1/20 0.40

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
SCHEMBL641168 0.90 LMNA (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL639802 0.87 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL642619 0.82 LMNA (0.51) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL639977 0.82 LMNA (0.67) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL639643 0.81 MEN1 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL21463865 0.78 MEN1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL639896 0.78 GABRG2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL641140 0.77 LMNA (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL640678 0.76 MEN1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL640640 0.74 LMNA (0.46) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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 CYP1A2 1029/4885CYP3A4 2218/4885CYP2C9 3048/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CYP1A2 1029/4885CYP3A4 2218/4885CYP2C9 3048/4885

“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.