SCHEMBL4292818

SCHEMBL4292818

Cc1cc([Si](C)(C)C)sc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR35 Q9HC97 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BCAT2 O15382 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL5104631 0.74 PKM (0.52) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL4294480 0.73 KDM4E (0.33) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL3093344 0.72 DAO (0.65) KDM4EPKMALDH1A1HPGDDAO
SCHEMBL364130 0.71 GPR35 (0.44) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL243572 0.71 KDM4E (0.42) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL12917930 0.71 DAO (0.42) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL12344811 0.71 DAO (0.42) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL4971298 0.71 PKM (0.44) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL18701715 0.71 DAO (0.42) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL3425861 0.71 DAO (0.48) KDM4EPKMALDH1A1HPGDTSHR

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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
CN-101384583-A Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN 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 (1 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 KDM4E 463/4885PKM 1287/4885ALDH1A1 1961/4885

“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.