SCHEMBL3471733

SCHEMBL3471733

CCOc1c(OC)c(OC)cc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
KDM4E B2RXH2 3/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TNF P01375 1/20 0.39
BPTF Q12830 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
SCHEMBL3473414 0.91 PKM (0.59) PKMKDM4EPOLBLMNASMN1; SMN2
SCHEMBL2907457 0.89 PKM (0.75) PKMKDM4EPOLBLMNAUSP2
SCHEMBL5962801 0.81 PKM (0.58) PKMKDM4EPOLBLMNAUSP2
SCHEMBL5962841 0.81 PKM (0.58) PKMKDM4EPOLBLMNAUSP2
SCHEMBL23412396 0.80 PKM (0.57) PKMKDM4EPOLBLMNAUSP2
SCHEMBL5962774 0.78 PKM (0.56) PKMKDM4EPOLBLMNASMN1; SMN2
SCHEMBL3470106 0.78 KDM4E (0.77) PKMKDM4EPOLBUSP2HSD17B10
SCHEMBL268659 0.77 TDP1 (0.42) PKMLMNASMN1; SMN2HTTALDH1A1
SCHEMBL890810 0.76 PKM (1.00) PKMKDM4EPOLBLMNAUSP2
SCHEMBL6383566 0.76 HTT (0.59) PKMPOLBLMNAHTTMAPT

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 PKM 2624/4885KDM4E 2145/4885POLB 2315/4885

“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.