SCHEMBL863397

SCHEMBL863397

O=Cc1c(Br)ccc2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ERN1 O75460 3/20 0.36
NQO2 P16083 2/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP19A1 P11511 1/20 0.34
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL17397871 0.85 KDM4E (0.40) AOC3ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL1443963 0.79 AOC3 (0.46) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL16735524 0.79 AOC3 (0.46) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL1443961 0.79 AOC3 (0.46) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL2210181 0.79 KMT2A (0.43) AOC3ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL1579496 0.78 TDP1 (0.46) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL881447 0.77 NQO2 (0.45) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL2210040 0.77 AOC3 (0.51) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL22589288 0.77 ALDH1A1 (0.44) AOC3ALDH1A1HSD17B10TDP1TXNRD1
SCHEMBL2571759 0.77 ALDH1A1 (0.44) AOC3ALDH1A1HSD17B10TDP1TXNRD1

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131539-B1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION PECSI TUDOMANYEGYETEM (HU) 2018-12-05 EP claimed
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US disclosed
US-12428408-B2 Fused heterocyclic mescaline derivatives Enveric Biosciences Canada Inc. (CA) 2025-09-30 US disclosed
US-20240116907-A1 FUSED HETEROCYCLIC MESCALINE DERIVATIVES Enveric Biosciences Canada Inc. (CA) 2024-04-11 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US disclosed
EP-2342179-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES Semmelweis Egyetem (HU) 2011-07-13 EP disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds ACADEMIA SINICA (TW) 2010-05-06 US disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 WO disclosed
US-6645975-B1 Reducing, deprotecting and optionally alkylating chemical intermediates to form 8,9-dihydroxy-2,3,7,11b-tetrahydro-1H-naphtho(1,2,3-de)isoquinoline, used as dopamine receptor agonists PURDUE RESEARCH FOUNDATION 2003-11-11 US disclosed
US-5948817-A Polycyclic ethyl alkylamide melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-07 US disclosed
WO-1998038991-A1 POLYCYCLIC ETHYL ALKYLAMIDE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-11 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 (8 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-20240116907-A1 FUSED HETEROCYCLIC MESCALINE DERIVATIVES UGT2B7, CYP3A5, CYP2C19 AOC3 725/4885ALDH1A1 252/4885HSD17B10 1425/4885
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 AOC3 3/4885ALDH1A1 44/4885HSD17B10 926/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 AOC3 3674/4885ALDH1A1 2424/4885HSD17B10 4154/4885
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 AOC3 3554/4885ALDH1A1 1738/4885HSD17B10 2018/4885
US-12428408-B2 Fused heterocyclic mescaline derivatives UGT2B7, CYP3A5, CYP2C19 AOC3 725/4885ALDH1A1 252/4885HSD17B10 1425/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 AOC3 3554/4885ALDH1A1 1738/4885HSD17B10 2018/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 AOC3 3545/4885ALDH1A1 1717/4885HSD17B10 2007/4885
US-20100113519-A1 1,5-Dideoxy-1,5-imino-D-glucitol Compounds HEXD, GALE, GBA1 AOC3 862/4885ALDH1A1 321/4885HSD17B10 351/4885

“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.