SCHEMBL8880504

SCHEMBL8880504

c1ccc(Oc2cnc3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 10/20 1.00
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
RAB9A P51151 3/20 0.74
NPC1 O15118 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
HPGD P15428 2/20 0.74
ATM Q13315 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RXFP1 Q9HBX9 1/20 0.74
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2C9 P11712 1/20 0.68
LMNA P02545 2/20 0.64
RHOA P61586 1/20 0.57
GLA P06280 2/20 0.55
MAPT P10636 2/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL11030583 0.87 HTT (0.77) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL30534581 0.85 HTT (0.74) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL10991784 0.85 HTT (0.74) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL10904809 0.85 HTT (0.74) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL28766737 0.84 HTT (0.71) HTTALDH1A1KMT2AMEN1RAB9A
Formaldehyde SCHEMBL28251520 0.82 HTT (0.69) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL10995842 0.81 HTT (0.68) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL27259671 0.81 MEN1 (0.73) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL3916025 0.80 HTT (0.72) HTTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9815623 0.79 HTT (0.66) HTTALDH1A1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817539-B 2 phenoxyquinoxaline derivatives and its medical usage 三峡大学 2017-06-09 CN claimed
CN-104817539-A 2-phenoxy quinoxaline derivative and pharmaceutical use thereof UNIV CHINA THREE GORGES CTGU 2015-08-05 CN claimed
CN-119899153-A Production method of quizalofop-p-ethyl 河北农必威生物科技有限公司 2025-04-29 CN disclosed
CN-104817539-B 2 phenoxyquinoxaline derivatives and its medical usage 三峡大学 2017-06-09 CN disclosed
CN-104817539-B 2 phenoxyquinoxaline derivatives and its medical usage 三峡大学 2017-06-09 CN disclosed
CN-104817539-B 2 phenoxyquinoxaline derivatives and its medical usage 三峡大学 2017-06-09 CN disclosed
CN-104817539-A 2-phenoxy quinoxaline derivative and pharmaceutical use thereof UNIV CHINA THREE GORGES CTGU 2015-08-05 CN disclosed
CN-104817539-A 2-phenoxy quinoxaline derivative and pharmaceutical use thereof UNIV CHINA THREE GORGES CTGU 2015-08-05 CN disclosed
CN-104817539-A 2-phenoxy quinoxaline derivative and pharmaceutical use thereof UNIV CHINA THREE GORGES CTGU 2015-08-05 CN disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
US-8071710-B2 Thermoplastic polyphenoxyquinoxaline and method of preparing the same THE UNIVERSITY OF AKRON (US) 2011-12-06 US disclosed
US-5696119-A SOLID TUMORS, LEUKEMIA THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-09 US disclosed
WO-1994013647-A1 (2-QUINOXALINYLOXY)PHENOXYPROPANOIC ACIDS AND RELATED DERIVATIVES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-23 WO 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-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 HTT 1373/4885ALDH1A1 1986/4885KMT2A 1871/4885

“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.