SCHEMBL5324174

SCHEMBL5324174

COCCOc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
PTK2B Q14289 1/20 0.49
TSHR P16473 1/20 0.48
HPD P32754 7/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
PKM P14618 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK2 P24941 1/20 0.41

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
SCHEMBL15623075 0.87 KMT2A (0.46) HPGDPOLBALDH1A1KMT2APTK2B
SCHEMBL23352311 0.86 NPC1 (0.53) HPGDPOLBALDH1A1KMT2ANPC1
SCHEMBL7828058 0.84 GLA (0.50) ALDH1A1KMT2ATSHRHPD
SCHEMBL3931562 0.83 MEN1 (0.55) KMT2AAKR1C3AKR1C2AKR1C1
SCHEMBL25435457 0.83 SMN1; SMN2 (0.50) HPGDPOLBALDH1A1KMT2ANPC1
SCHEMBL29740471 0.83 PKM (0.59) HPGDPOLBALDH1A1KMT2ATSHR
SCHEMBL104452 0.83 PKM (0.59) HPGDPOLBALDH1A1KMT2ATSHR
SCHEMBL3372774 0.81 NPC1 (0.60) HPGDALDH1A1KMT2ATSHRNPC1
SCHEMBL837892 0.81 ALDH1A1 (0.55) HPGDPOLBALDH1A1KMT2ATSHR
SCHEMBL29158279 0.81 POLB (0.42) HPGDPOLBALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650196-A1 PROCESS FOR PRODUCING 6,7-BIS(2-METHOXYETHOXY)-QUINAZOLIN-4-ONE Ube Industries, Ltd. (JP) 2006-04-26 EP claimed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
EP-3891152-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF Betta Pharmaceuticals Co., Ltd (CN) 2021-10-13 EP disclosed
CN-113166156-A Tyrosine kinase inhibitors, compositions and methods thereof 贝达药业股份有限公司 2021-07-23 CN disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO disclosed
WO-2007138613-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
WO-2007138612-A2 A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2007-12-06 WO disclosed
US-20060276647-A1 Process for producing 6, 7-bis (2-methoxyethoxy)-quinazolin-4-one UBE INDUSTRIES, LTD (JP) 2006-12-07 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-20060276647-A1 Process for producing 6, 7-bis (2-methoxyethoxy)-quinazolin-4-one CPS1, CYP3A4, RPS27A HPGD 1178/4885POLB 430/4885ALDH1A1 1913/4885

“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.