SCHEMBL714137

SCHEMBL714137

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
ALDH1A1 P00352 1/20 0.60
MAPK8 P45983 2/20 0.56
CNR2 P34972 2/20 0.55
NLRP3 Q96P20 1/20 0.55
AOC2 O75106 2/20 0.53
PIK3CA P42336 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MAPK10 P53779 1/20 0.49
AOC3 Q16853 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
RORC P51449 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14476867 0.95 HDAC1 (0.58) HDAC1HDAC8ALDH1A1MAPK8CNR2
SCHEMBL11796135 0.85 AOC2 (0.66) HDAC8AOC2AOC3
SCHEMBL8566065 0.83 HDAC1 (0.61) HDAC1HDAC8ALDH1A1MAPK8CNR2
SCHEMBL29995593 0.82 HDAC1 (0.56) HDAC1HDAC8ALDH1A1MAPK8CNR2
SCHEMBL30545010 0.81 ESRRB (0.58) ALDH1A1NLRP3AOC2EPHX2AOC3
SCHEMBL8640586 0.81 TACR1 (0.55) HDAC1HDAC8ALDH1A1BACE1BACE2
SCHEMBL754150 0.80 GAA (0.63) ALDH1A1MAPK8AOC2AOC3KDM4E
SCHEMBL1567951 0.80 CA2 (0.57) HDAC1HDAC8MAPK8PIK3CATAAR1
SCHEMBL4305804 0.79 PIK3CA (0.56) HDAC1HDAC8MAPK8CNR2NLRP3
SCHEMBL6867356 0.79 MEN1 (0.68) HDAC1HDAC8ALDH1A1MAPK8AOC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409611-A Oxadiazole hydrazide compound and preparation method and application thereof 贵州大学 2022-04-29 CN disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP 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 HDAC1 2095/4885HDAC8 1486/4885ALDH1A1 278/4885
US-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A HDAC1 621/4885HDAC8 1528/4885ALDH1A1 3333/4885

“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.