SCHEMBL5168799

SCHEMBL5168799

O=C(O)c1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
AR P10275 2/20 0.39
ALOX15 P16050 2/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL30938291 0.87 LMNA (0.44) DTYMKLMNAHTTMAPTAKR1C2
SCHEMBL2038384 0.87 LMNA (0.44) DTYMKLMNAHTTMAPTAKR1C2
SCHEMBL405684 0.83 DTYMK (0.51) DTYMKLMNAHTTMAPTAKR1C2
SCHEMBL2597417 0.82 CFTR (0.43) LMNAHTTMAPTTDP1MEN1
SCHEMBL5165209 0.81 ALDH1A1 (0.39) LMNAHTTMAPTTDP1TTR
SCHEMBL13948939 0.81 DTYMK (0.50) DTYMKLMNAHTTMAPTAKR1C2
SCHEMBL20605950 0.81 LMNA (0.44) DTYMKLMNAHTTMAPTAKR1C2
SCHEMBL31510262 0.79 TDP1 (0.47) LMNAHTTTDP1MEN1TTR
SCHEMBL8043011 0.79 TDP1 (0.47) LMNAHTTTDP1MEN1TTR
SCHEMBL3871135 0.79 ASPH (0.47) ALDH1A1ARCES2ASPHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
CN-1989113-B Quinazoline derivatives NOVARTIS AG 2011-02-16 CN disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
CN-1989113-A Quinazoline derivatives NOVARTIS AG (CH) 2007-06-27 CN disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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 (1 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 DTYMK 2035/4885LMNA 3184/4885HTT 2279/4885

“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.