SCHEMBL6115673

SCHEMBL6115673

O=c1ccc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP3A4 P08684 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2D6 P10635 3/20 0.59
POLB P06746 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL8481152 0.80 POLB (0.67) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL6116490 0.78 L3MBTL1 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL266795 0.76 NPSR1 (0.58) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL6116412 0.75 NPC1 (0.61) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL4470067 0.75 GAA (0.59) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL6115772 0.74 KMT2A (0.59) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL8299970 0.74 KMT2A (0.62) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL17221629 0.74 KMT2A (0.62) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL14600348 0.74 KMT2A (0.58) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL2614384 0.73 HTT (0.52) POLBL3MBTL1MAPTKDM4EALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474533-B1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS UNIV CENTRAL SOUTH (CN) 2015-02-25 EP claimed
US-8377932-B2 Preparation of 1-(substituted benzyl)-5-trifluoromethyl-2(1H)pyridone compounds and salts thereof and their applications CENTRAL SOUTH UNIVERSITY (CN) 2013-02-19 US claimed
EP-2474533-A1 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H) PYRIDONE COMPOUNDS AND THEIR SALTS, THEIR PREPARATION METHODS AND USE THEREOF Central South University (CN) 2012-07-11 EP claimed
US-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CENTRAL SOUTH UNIVERSITY (CN) 2012-05-24 US claimed
EP-2474533-B1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS UNIV CENTRAL SOUTH (CN) 2015-02-25 EP disclosed
EP-2474533-B1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS UNIV CENTRAL SOUTH (CN) 2015-02-25 EP disclosed
US-8377932-B2 Preparation of 1-(substituted benzyl)-5-trifluoromethyl-2(1H)pyridone compounds and salts thereof and their applications CENTRAL SOUTH UNIVERSITY (CN) 2013-02-19 US disclosed
US-8377932-B2 Preparation of 1-(substituted benzyl)-5-trifluoromethyl-2(1H)pyridone compounds and salts thereof and their applications CENTRAL SOUTH UNIVERSITY (CN) 2013-02-19 US disclosed
EP-2474533-A1 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H) PYRIDONE COMPOUNDS AND THEIR SALTS, THEIR PREPARATION METHODS AND USE THEREOF Central South University (CN) 2012-07-11 EP disclosed
EP-2474533-A1 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2-(1H) PYRIDONE COMPOUNDS AND THEIR SALTS, THEIR PREPARATION METHODS AND USE THEREOF Central South University (CN) 2012-07-11 EP disclosed
US-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CENTRAL SOUTH UNIVERSITY (CN) 2012-05-24 US disclosed
US-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CENTRAL SOUTH UNIVERSITY (CN) 2012-05-24 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 (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-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CFTR, PNPO, COL1A1 CYP2C9 1061/4885CYP2C19 654/4885CYP3A4 149/4885

“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.