SCHEMBL12499334

SCHEMBL12499334

COC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 5/20 0.47
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
CFTR P13569 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
SCHEMBL29433538 0.90 PDGFRB (0.45) TDP1MAPTTSHRALDH1A1HPGD
SCHEMBL28700442 0.90 PDGFRB (0.45) TDP1MAPTTSHRALDH1A1HPGD
SCHEMBL12499482 0.85 MAPT (0.56) TDP1MAPTCYP3A4TSHRALDH1A1
SCHEMBL26103819 0.82 SMN1; SMN2 (0.47) TDP1MAPTCYP3A4TSHRALDH1A1
SCHEMBL27370615 0.82 CFTR (0.56) TDP1MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1450704 0.82 CFTR (0.60) TDP1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL30959714 0.82 CFTR (0.60) TDP1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL26103584 0.81 PDGFRB (0.45) TDP1MAPTTSHRALDH1A1HPGD
SCHEMBL27387385 0.81 CFTR (0.53) MAPTCFTRP2RX1NOTUM
SCHEMBL994270 0.81 ALDH1A1 (0.66) TDP1MAPTCYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 EP disclosed
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 EP disclosed
WO-2023074780-A1 THERAPEUTIC AGENT COMPOSITION 国立大学法人愛媛大学 2023-05-04 WO disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 US disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 US disclosed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 US disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
EP-2681216-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-01-08 EP disclosed
US-8598167-B1 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2013-12-03 US disclosed
US-20130317026-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2013-11-28 US disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 WO 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 (6 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-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TDP1 2377/4885MAPT 3519/4885CYP3A4 14/4885
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TDP1 2377/4885MAPT 3519/4885CYP3A4 14/4885
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TDP1 2377/4885MAPT 3519/4885CYP3A4 14/4885
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TDP1 2377/4885MAPT 3519/4885CYP3A4 14/4885
US-20130317026-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TDP1 2377/4885MAPT 3519/4885CYP3A4 14/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL TDP1 1398/4885MAPT 4181/4885CYP3A4 69/4885

“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.