SCHEMBL2189408

SCHEMBL2189408

COc1c(/C=N/O)c(=O)n(C)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 1.00
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
CASP1 P29466 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL2189412 1.00 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16735541 1.00 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1444070 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1444067 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16735539 0.82 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16735525 0.80 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2210503 0.80 AOC3 (1.00) AOC3KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2209210 0.78 AOC3 (0.64) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13447714 0.77 AOC3 (0.62) AOC3KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3790927 0.77 AOC3 (0.62) AOC3KMT2AALDH1A1KDM4EHSD17B10

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 19 patents. 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
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-9790193-B2 Semicarbazide-sensitive amine oxidase inhibitors for use as analgesics in traumatic neuropathy and neurogenic inflammation PÉCSI TUDOMÁNYEGYETEM (HU) 2017-10-17 US disclosed
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 disclosed
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 disclosed
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 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-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
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

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 3/4885KMT2A 4220/4885ALDH1A1 44/4885
US-20170044117-A1 SEMICARBAZIDE-SENSITIVE AMINE OXIDASE INHIBITORS FOR USE AS ANALGESICS IN TRAUMATIC NEUROPATHY AND NEUROGENIC INFLAMMATION AOC3, VAPB, AOC2 AOC3 1/4885KMT2A 3976/4885ALDH1A1 70/4885

“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.