SCHEMBL2140028

SCHEMBL2140028

FC(F)(F)N1CCNC(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ PRKCQ Q04759 3/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13093644 0.83 PDE10A (0.40) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL20449121 0.76 KDM1A (0.43) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL20449122 0.76 KDM1A (0.43) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL9050013 0.75 KDM4E (0.42) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL2908444 0.74 PDE10A (0.45) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL2910280 0.74 PDE10A (0.45) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL90572 0.74 PDE10A (0.45) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
Hydrochloric Acid SCHEMBL10626673 0.72 GSK3B (0.45) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL2708307 0.72 ADRB1 (0.50) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1
SCHEMBL10388908 0.72 KDM4E (0.44) ALDH1A1KDM4EPDE10AGSK3BRPS6KB1

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
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 — — US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 — — US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 — — EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 — — US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 — — US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 — — CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 — — CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 — — US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 — — EP disclosed
EP-0527081-B1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PF MEDICAMENT (FR) 1996-01-03 — — EP disclosed
EP-0294307-B1 3-Arylcarbamoyl-5-aminomethyl-oxazolidines, and their salts with pharmaceutically acceptable acids CORTIAL (FR) 1994-06-22 — — EP disclosed
EP-0527081-A1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PIERRE FABRE MEDICAMENT (FR) 1993-02-10 — — EP disclosed
EP-0294307-A1 3-Arylcarbamoyl-5-aminomethyl-oxazolidines, and their salts with pharmaceutically acceptable acids CORTIAL S.A. (FR) 1988-12-07 — — EP disclosed
EP-0173634-B1 4-(ARYLPIPERAZINYLETHYLAMINOETHOXY) PHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL APPLICATION CORTIAL S.A. (FR) 1988-08-31 — — EP disclosed
EP-0173634-A1 4-(Arylpiperazinylethylaminoethoxy) phenol derivatives, process for their preparation and their therapeutical application CORTIAL S.A. (FR) 1986-03-05 — — EP disclosed
EP-0078756-A1 2-(4-Phenyl-piperazinylethyl) anilines, process for their preparation and their use in medicine CORTIAL S.A. (FR) 1983-05-11 — — 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885PDE10A 2773/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885PDE10A 2773/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885PDE10A 2773/4885

“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.

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