SCHEMBL1620167

SCHEMBL1620167

FCCOc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL10457449 0.89 APP (0.59) APPALDH1A1LTA4H
SCHEMBL9114592 0.87 CYP1A2 (0.63) APPL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10338308 0.84 MEN1 (0.60) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL322907 0.83 TAAR1 (0.60) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1677141 0.83 ALDH1A1 (0.60) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL10458215 0.82 APP (0.53) APPCYP2D6MAPTALDH1A1
Hydrochloric Acid SCHEMBL321866 0.81 TAAR1 (0.58) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL695974 0.81 DRD2 (0.50) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1010758 0.81 MAOB (0.52) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
Hydrochloric Acid SCHEMBL4377848 0.79 MAOB (0.55) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-7074523-B2 Lithium secondary battery HITACHI, LTD. (JP) 2006-07-11 US disclosed
US-20040106039-A1 nonaqueous electrolytic solution containing a compound that is oxidized at a voltage > a charge end voltage of the battery and a compound which inhibits reactions at voltages < the charge end voltage ARAI JUICHI (JP) 2004-06-03 US disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 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-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 APP 3730/4885L3MBTL1 2511/4885CYP1A2 76/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 APP 3861/4885L3MBTL1 932/4885CYP1A2 45/4885

“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.