Sugi Predict

Sugi Predict / Compounds / SCHEMBL3471735

SCHEMBL3471735

SCHEMBL3471735

COCCOc1cc(C(=O)OC)c([N+](=O)[O-])cc1OCCOC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1012859 0.96 POLB (0.56) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL1012443 0.96 POLB (0.56) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL3470252 0.91 HTT (0.44) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL264575 0.88 ALDH1A1 (0.48) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL2149235 0.87 HTT (0.55) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL14705129 0.87 HTT (0.55) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL5054213 0.87 HTT (0.48) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL1436413 0.87 ALDH1A1 (0.49) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL874176 0.87 POLB (0.52) HTTPOLBNPC1CYP3A4ALDH1A1
SCHEMBL5964493 0.86 POLB (0.54) HTTPOLBNPC1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 — — CN disclosed
US-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 — — US disclosed
US-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 — — US disclosed
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 (2 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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 HTT 3270/4885POLB 2184/4885NPC1 1809/4885
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 HTT 1332/4885POLB 2315/4885NPC1 2853/4885

“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.