SCHEMBL16764355

SCHEMBL16764355

COC(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HGFAC Q04756 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX5 P09917 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL2955782 0.90 F2 (0.63) F2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9476190 0.84 F2 (0.57) F2SMN1; SMN2ALDH1A1KMT2AHGFAC
SCHEMBL29787109 0.83 F2 (0.60) F2SMN1; SMN2ALDH1A1HGFACCYP2C9
SCHEMBL916164 0.83 F2 (0.60) F2SMN1; SMN2ALDH1A1HGFACCYP2C9
SCHEMBL7929197 0.83 F2 (0.63) F2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12919991 0.83 F2 (0.56) F2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4260502 0.83 F2 (0.56) F2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL28472004 0.82 F2 (0.58) F2SMN1; SMN2ALDH1A1HGFACCYP2C9
SCHEMBL11195246 0.81 F2 (0.61) F2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7671999 0.81 TSHR (0.55) F2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321762-B2 Quinazoline compounds, method for preparing the same and use thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-26 US disclosed
US-20150158854-A1 QUINAZOLINE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2015-06-11 US 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-20150158854-A1 QUINAZOLINE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF PKN2, CNKSR1, ABL1 F2 1363/4885SMN1; SMN2 2017/4885ALDH1A1 4556/4885

“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.