SCHEMBL5166296

SCHEMBL5166296

COC(=O)c1cc(N2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SLC6A9 P48067 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SERPINE1 P05121 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5168841 0.90 SIRT6 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5167802 0.87 SIRT6 (0.45) MAPTTHRBALDH1A1SIRT6TDP1
SCHEMBL5165148 0.81 CFTR (0.55) MAPTMEN1GAAKMT2ATP53
SCHEMBL14413929 0.80 MAPT (0.45) MAPTMEN1GAAKMT2ATP53
SCHEMBL9035671 0.79 MAPT (0.48) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL5563843 0.79 SERPINE1 (0.44) MAPTMEN1KMT2ATP53THRB
SCHEMBL2597417 0.78 CFTR (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2035638 0.76 CFTR (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5054829 0.75 MAPT (0.64) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL5624466 0.75 SIRT6 (0.76) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 7 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
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
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 MAPT 2053/4885MEN1 1459/4885GAA 854/4885

“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.