SCHEMBL5166870

SCHEMBL5166870

COC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
GALR2 O43603 1/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HPGD P15428 1/20 0.60
XBP1 P17861 1/20 0.60
CCR6 P51684 1/20 0.60
SLC9A1 P19634 1/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL14854666 0.94 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL5167381 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL13088438 0.84 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL32659715 0.84 PDGFRB (0.51) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL5167860 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL2309925 0.82 LMNA (0.50) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL1560111 0.82 PDGFRB (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL18038909 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL7474176 0.81 LMNA (0.60) ALDH1A1SMN1; SMN2NPSR1GALR2MITF
SCHEMBL26631746 0.81 NPSR1 (0.60) ALDH1A1SMN1; SMN2NPSR1GALR2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ALDH1A1 460/4885SMN1; SMN2 3684/4885NPSR1 1052/4885

“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.