SCHEMBL3471737

SCHEMBL3471737

COC(=O)c1cc(OC)c(OC)cc1OCC[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.41
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3473416 0.88 KMT2A (0.51) KMT2AMAPTALDH1A1HSP90AA1HPGD
SCHEMBL3470112 0.79 KDM4E (0.56) KMT2AKDM4EMAPTALDH1A1HSP90AA1
SCHEMBL2149235 0.76 HTT (0.55) KMT2AMAPTALDH1A1HSP90AA1HTT
SCHEMBL14705129 0.76 HTT (0.55) KMT2AMAPTALDH1A1HSP90AA1HTT
SCHEMBL14418100 0.76 HTT (0.55) KMT2AMAPTHTTPOLBCYP3A4
SCHEMBL7466908 0.76 KDM4E (0.68) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL27400702 0.75 TSHR (0.61) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5964493 0.75 POLB (0.54) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL1012859 0.74 POLB (0.56) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8900774 0.74 PDGFRB (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CYP2C19

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 claimed
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
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 KMT2A 2686/4885KDM4E 2145/4885MAPT 3826/4885

“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.