SCHEMBL323502

SCHEMBL323502

N#Cc1ccc(N)cc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
LMNA P02545 1/20 0.38
MBOAT4 Q96T53 1/20 0.37
IDH1 O75874 1/20 0.37
AR P10275 5/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL21239555 0.89 KDM4E (0.61) KDM4EALDH1A1USP2SLC22A12LMNA
SCHEMBL29873838 0.89 KDM4E (0.61) KDM4EALDH1A1USP2SLC22A12LMNA
SCHEMBL28947751 0.80 AR (0.47) KCNJ1KCNH2SLC22A12IDH1AR
SCHEMBL16822097 0.79 KCNH2 (0.50) KDM4EALDH1A1USP2KCNJ1KCNH2
SCHEMBL18189524 0.79 IDH1 (0.50) KCNJ1KCNH2SLC22A12IDH1AR
SCHEMBL20930791 0.79 KCNJ1 (0.39) KCNJ1KCNH2SLC22A12MBOAT4IDH1
SCHEMBL3020737 0.79 SLC22A12 (0.41) KCNJ1KCNH2SLC22A12IDH1AR
SCHEMBL21230254 0.79 KCNJ1 (0.39) KCNJ1KCNH2SLC22A12IDH1AR
SCHEMBL3020739 0.79 AR (0.46) KCNJ1KCNH2SLC22A12IDH1AR
SCHEMBL8120210 0.79 KCNJ1 (0.39) KCNJ1KCNH2SLC22A12IDH1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (5 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-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 KDM4E 3087/4885ALDH1A1 381/4885USP2 3068/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 KDM4E 4163/4885ALDH1A1 2584/4885USP2 2473/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 KDM4E 3549/4885ALDH1A1 334/4885USP2 3456/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 KDM4E 2017/4885ALDH1A1 2454/4885USP2 3810/4885
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA KDM4E 3268/4885ALDH1A1 967/4885USP2 4263/4885

“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.