SCHEMBL1444067

SCHEMBL1444067

CCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 1.00
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1444070 1.00 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL16735539 1.00 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2210503 0.88 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL16735525 0.88 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2210507 0.88 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2187267 0.83 AOC3 (0.71) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2187263 0.83 AOC3 (0.71) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2189408 0.82 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL16735541 0.82 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL2189412 0.82 AOC3 (1.00) AOC3ALDH1A1KDM4EMAPTCYP1A2

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 24 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-9790193-B2 Semicarbazide-sensitive amine oxidase inhibitors for use as analgesics in traumatic neuropathy and neurogenic inflammation PÉCSI TUDOMÁNYEGYETEM (HU) 2017-10-17 US claimed
EP-3131539-A1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION Pécsi Tudományegyetem (HU) 2017-02-22 EP claimed
US-20170044117-A1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION PÉCSI TUDOMÁNYEGYETEM (HU) 2017-02-16 US claimed
WO-2015159112-A1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION PÉCSI TUDOMÁNYEGYETEM (HU) 2015-10-22 WO claimed
EP-2342179-B1 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) 2015-05-27 EP claimed
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 claimed
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 claimed
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 claimed
US-10576148-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2020-03-03 US disclosed
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 disclosed
US-20180071388-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2018-03-15 US disclosed
EP-2475387-B1 VAP-1 INHIBITORS FOR USE IN TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP (FI) 2017-11-01 EP disclosed
US-9795671-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2017-10-24 US disclosed
EP-2342179-B1 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) 2015-05-27 EP disclosed
US-8536210-B2 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) 2013-09-17 US disclosed
US-20130195883-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS THE UNIVERSITY OF BIRMINGHAM (GB) 2013-08-01 US disclosed
EP-2475387-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS Biotie Therapies Corp. (FI) 2012-07-18 EP 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
WO-2011029996-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2011-03-17 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 (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-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 44/4885KDM4E 2019/4885
US-20170044117-A1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION AOC3, VAPB, AOC2 AOC3 1/4885ALDH1A1 70/4885KDM4E 3040/4885

“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.