SCHEMBL3470252

SCHEMBL3470252

COCCOc1cc([N+](=O)[O-])c(C(=O)OC)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
AR P10275 1/20 0.39
PELP1 Q8IZL8 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
SCHEMBL19035895 0.92 TDP1 (0.44) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL3471735 0.91 HTT (0.50) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL1012443 0.87 POLB (0.56) HTTPOLBALDH1A1MAPTNPC1
SCHEMBL1012859 0.87 POLB (0.56) HTTPOLBALDH1A1MAPTNPC1
SCHEMBL9865038 0.84 NPC1 (0.45) HTTALDH1A1MAPTNPC1KDM4E
SCHEMBL1013315 0.83 POLB (0.50) HTTPOLBALDH1A1TDP1MAPT
SCHEMBL6661001 0.81 ALDH1A1 (0.48) HTTALDH1A1TDP1MAPTNPC1
SCHEMBL264575 0.79 ALDH1A1 (0.48) HTTPOLBALDH1A1MAPTNPC1
SCHEMBL14705129 0.78 HTT (0.55) HTTPOLBALDH1A1MAPTNPC1
SCHEMBL28708249 0.78 POLB (0.46) HTTPOLBALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746242-A Synthesis method of 6, 7-substituent-4-aniline quinazoline OMEGA CO LTD 2012-10-24 CN disclosed
CN-101863844-B Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2012-10-03 CN disclosed
WO-2011147102-A1 SYNTHETIC METHOD FOR 6,7-SUBSTITUENTS-4-ANILINE QUINAZOLINE 翔真生物科技股份有限公司 (CN) 2011-12-01 WO disclosed
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline OMEGA MEDICAL TAIWAN LIMITED (TW) 2010-10-21 US disclosed
CN-101863844-A Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2010-10-20 CN 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-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 HTT 1332/4885POLB 2315/4885ALDH1A1 878/4885

“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.