SCHEMBL8790573

SCHEMBL8790573

Nc1ccc(CC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.43
ADRB2 P07550 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL28280100 0.87 TDP1 (0.54) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL28179842 0.84 TSHR (0.46) TDP1ALDH1A1CYP3A4ALOX15POLB
SCHEMBL15156890 0.83 TDP1 (0.58) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL9913587 0.81 ALDH1A1 (0.53) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31023123 0.81 ALDH1A1 (0.53) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10567725 0.81 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL7253733 0.81 TDP1 (0.58) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL2929031 0.80 TDP1 (0.62) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL30989211 0.80 TDP1 (0.62) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL12798874 0.80 TDP1 (0.62) TDP1ALDH1A1CYP3A4ALOX15MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
EP-0799224-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 TDP1 23/4885ALDH1A1 592/4885CYP3A4 3134/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TDP1 23/4885ALDH1A1 592/4885CYP3A4 3134/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 TDP1 23/4885ALDH1A1 592/4885CYP3A4 3134/4885

“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.