SCHEMBL6869972

SCHEMBL6869972

NNC(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.59
NLRP3 Q96P20 1/20 0.58
EPHX2 P34913 5/20 0.57
LTA4H P09960 1/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CACNA1H O95180 3/20 0.50
CACNA1G O43497 2/20 0.50
CACNA1I Q9P0X4 2/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
AOC2 O75106 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
GAA P10253 1/20 0.47
EPHX1 P07099 1/20 0.47

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
Hydrochloric Acid SCHEMBL17730772 0.98 MAPK8 (0.58) MAPK8NLRP3EPHX2LTA4HKMT2A
SCHEMBL13329837 0.85 NLRP3 (0.57) MAPK8NLRP3EPHX2LTA4HKMT2A
SCHEMBL328546 0.82 MAPK8 (0.55) MAPK8NLRP3EPHX2LTA4HEPHX1
SCHEMBL4036999 0.81 ALDH1A1 (0.71) EPHX2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL11796135 0.81 AOC2 (0.66) KMT2AMEN1AOC2GAA
SCHEMBL21981021 0.81 AOC2 (0.51) NLRP3AOC2KDM4E
SCHEMBL378766 0.80 EPHX2 (0.54) MAPK8NLRP3EPHX2LTA4HKMT2A
SCHEMBL9682203 0.79 MEN1 (0.71) MAPK8NLRP3EPHX2LTA4HKMT2A
SCHEMBL2494898 0.79 HTT (0.73) MAPK8EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL2650529 0.79 TRPV1 (0.59) EPHX2KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
CN-1191255-C Benzodiazepine derivatives as GABA A receptor modulators HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
CN-1474820-A Benzodiazepine derivatives as GABA A receptor modulators - 2004-02-11 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 MAPK8 3578/4885NLRP3 1526/4885EPHX2 3461/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 MAPK8 1588/4885NLRP3 228/4885EPHX2 2519/4885

“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.