SCHEMBL6116347

SCHEMBL6116347

O=c1ccc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TGM2 P21980 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
DBH P09172 1/20 0.44

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
SCHEMBL6116412 0.81 NPC1 (0.61) KMT2AMAPTHTTPOLBL3MBTL1
SCHEMBL8299970 0.80 KMT2A (0.62) KMT2AMAPTHTTPOLBL3MBTL1
SCHEMBL6115772 0.80 KMT2A (0.59) KMT2AMAPTHTTPOLBL3MBTL1
SCHEMBL17221629 0.80 KMT2A (0.62) KMT2AMAPTHTTPOLBL3MBTL1
SCHEMBL8481152 0.79 POLB (0.67) KMT2AMAPTHTTPOLBL3MBTL1
SCHEMBL8276877 0.78 ACHE (0.50) KMT2AMAPTPOLBL3MBTL1LMNA
SCHEMBL5925051 0.78 KMT2A (0.48) KMT2AMAPTPOLBL3MBTL1LMNA
SCHEMBL13384539 0.78 KCNJ1 (0.45) KMT2AMAPTPOLBL3MBTL1LMNA
SCHEMBL29242337 0.77 KCNJ1 (0.50) KMT2AMAPTPOLBLMNASMN1; SMN2
SCHEMBL6116487 0.76 ALDH1A1 (0.65) KMT2AMAPTHTTPOLBL3MBTL1

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 KMT2A 4135/4885MAPT 4609/4885HTT 4837/4885

“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.