SCHEMBL640640

SCHEMBL640640

CC(C)(C)OC(=O)c1ccccc1Cn1c(=O)n(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CCR2 P41597 1/20 0.38
THRB P10828 1/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL642619 0.92 LMNA (0.51) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL641509 0.88 MEN1 (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL641140 0.87 LMNA (0.57) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL640780 0.85 MEN1 (0.37) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL641168 0.84 LMNA (0.57) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL639896 0.80 GABRG2 (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL639940 0.78 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL640678 0.77 MEN1 (0.41) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL639643 0.77 MEN1 (0.67) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL639802 0.76 CYP1A2 (0.55) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9

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 LMNA 886/4885SMN1; SMN2 3474/4885CYP1A2 1029/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A LMNA 886/4885SMN1; SMN2 3474/4885CYP1A2 1029/4885

“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.