SCHEMBL417140

SCHEMBL417140

O=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
EPOR P19235 1/20 0.47
KIF11 P52732 1/20 0.47
SRC P12931 1/20 0.46
GCGR P47871 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MAPT P10636 2/20 0.44
LTA4H P09960 1/20 0.44
FBP1 P09467 1/20 0.43
TEAD1 P28347 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL875650 0.89 ALDH1A1 (0.66) ALDH1A1POLBL3MBTL1KIF11KDM4E
SCHEMBL29473603 0.89 ALDH1A1 (0.66) ALDH1A1POLBL3MBTL1KIF11KDM4E
SCHEMBL924185 0.89 ADAMTS5 (0.55) ALDH1A1POLBL3MBTL1KIF11SRC
SCHEMBL15678985 0.87 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1EPORSRC
SCHEMBL67201 0.84 FBP1 (0.56) ALDH1A1POLBL3MBTL1MAOBMAPT
SCHEMBL29425705 0.84 FBP1 (0.56) ALDH1A1POLBL3MBTL1MAOBMAPT
SCHEMBL9798371 0.84 LTA4H (0.54) ALDH1A1POLBL3MBTL1KIF11KDM4E
SCHEMBL6849018 0.84 SRC (0.60) ALDH1A1POLBL3MBTL1SRCMAOA
SCHEMBL30631693 0.84 SRC (0.60) ALDH1A1POLBL3MBTL1SRCMAOA
SCHEMBL22719491 0.83 L3MBTL1 (0.49) ALDH1A1POLBL3MBTL1EPORKIF11

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 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9196843-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2015-11-24 US disclosed
EP-1720841-B1 QUINAZOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
US-9169224-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2015-10-27 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-20140024839-A1 FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME RICOH COMPANY, LTD. (JP) 2014-01-23 US disclosed
EP-0348002-A2 Herbicidal acrylonitrile derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-12-27 EP disclosed
EP-0307762-A1 Acrylic-acid amides and their use as fungicides F. HOFFMANN-LA ROCHE AG (CH) 1989-03-22 EP disclosed
US-4709052-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
US-4678797-A INSECTICIDES, MITICIDES, NEMATOCIDES, FUNGICIDES, FEED UTILIZATION BAYER AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0162383-A1 Biologically active agent containing substituted isoxazolidines, isoxazolidines and their preparation BAYER AG (DE) 1985-11-27 EP disclosed
US-4532258-A Controlling insects, mites, pests KURARAY CO., LTD. (JP) 1985-07-30 US disclosed
US-4485114-A Arylglyoxals useful as hypoglycemic agents AMERICAN CYANAMID COMPANY (US) 1984-11-27 US disclosed
EP-0114389-A2 Substituted arylglyoxal derivatives AMERICAN CYANAMID COMPANY (US) 1984-08-01 EP disclosed
US-4390547-A 2,2-Dimethyl-3-(substituted ethyl)cyclopropane carboxylate pesticidal compositions and methods KURARAY CO., LTD. (JP) 1983-06-28 US disclosed
US-4299839-A Novel pesticides and pesticidal compositions cyclopropanecarboxylates and pesticidal method KURARAY CO., LTD. (JP) 1981-11-10 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 (3 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885POLB 4809/4885L3MBTL1 2790/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885POLB 4809/4885L3MBTL1 2790/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885POLB 4809/4885L3MBTL1 2790/4885

“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.