SCHEMBL29869412

SCHEMBL29869412

O=C1c2ccccc2-c2cccc3ccnc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.75
CYP3A4 P08684 1/20 0.58
PABPC1 P11940 1/20 0.58
DNMT1 P26358 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ALDH1A1 P00352 4/20 0.53
PTPRC P08575 2/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
TOP2A P11388 1/20 0.47
CES2 O00748 1/20 0.45
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL25380689 1.00 MAOA (0.75) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL1969983 0.86 MAOA (1.00) MAOACYP3A4PABPC1DNMT1CASP1
Sampangine SCHEMBL6230423 0.85 MAOA (0.74) MAOAALDH1A1PTPRCCTSLCTSS
SCHEMBL29644349 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL1054548 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL23972209 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL28075835 0.84 MAOA (0.97) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL30416588 0.84 MAOA (0.97) MAOACYP3A4PABPC1DNMT1CASP1
Fluoranthene SCHEMBL11227281 0.83 MAOA (0.71) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL6414025 0.76 TDP2 (0.64) MAOAALDH1A1PTPRCCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121667224-A Use of Oxoaporphine alkaloid derivative in preventing and treating agricultural pathogenic bacteria 兰州大学 2026-03-17 CN disclosed
CN-121667224-A Use of Oxoaporphine alkaloid derivative in preventing and treating agricultural pathogenic bacteria 兰州大学 2026-03-17 CN disclosed
US-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2024-11-28 US disclosed
EP-4440313-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS Institut national de recherche pour l'agriculture, L'alimentation et l'environnement (INRAE) (FR) 2024-10-09 EP disclosed
CN-118714927-A Compositions and methods for controlling phytopathogenic infection 法国国家农业食品与环境研究院 2024-09-27 CN disclosed
WO-2023099609-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2023-06-08 WO disclosed
EP-4186367-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (INRAE) (FR) 2023-05-31 EP disclosed
CN-111920812-B Application of calcium channel inhibitor oxylipine in osteoarthritis 深圳市臻质医疗科技有限公司 2022-09-20 CN disclosed
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases THE UNIV OF BUEA (CM) 2022-08-25 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 (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-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases S1PR3, S1PR1, S1PR2 MAOA 3243/4885CYP3A4 3471/4885PABPC1 4248/4885
US-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS XBP1, ERN1, ERN2 MAOA 3977/4885CYP3A4 2585/4885PABPC1 1411/4885

“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.