SCHEMBL2208445

SCHEMBL2208445

Cn1c(Sc2ccccc2)c(C=O)c(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
HTT P42858 5/20 0.49
NPSR1 Q6W5P4 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 4/20 0.48
NOD2 Q9HC29 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AOC3 Q16853 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12280639 0.86 HPGD (0.47) MAPTHTTNPSR1SMN1; SMN2POLB
SCHEMBL2209686 0.82 AOC3 (0.62) MAPTHTTSMN1; SMN2HPGDMAOA
SCHEMBL16735532 0.82 AOC3 (0.62) MAPTHTTSMN1; SMN2HPGDMAOA
SCHEMBL2209693 0.82 AOC3 (0.62) MAPTHTTSMN1; SMN2HPGDMAOA
SCHEMBL2207915 0.74 AOC3 (0.64) MAPTL3MBTL1HPGDALDH1A1MEN1
SCHEMBL2213480 0.70 AOC3 (0.51) MAPTHTTPOLBALDH1A1MEN1
SCHEMBL2208838 0.68 AOC3 (0.68) MAPTHTTNPSR1SMN1; SMN2POLB
SCHEMBL2211650 0.66 ALDH1A1 (0.46) MAPTHTTNPSR1SMN1; SMN2POLB
SCHEMBL3791186 0.64 ALDH1A1 (0.40) MAPTL3MBTL1LMNAALDH1A1MEN1
SCHEMBL25201811 0.64 MAOA (1.00) HTTNPSR1POLBMAOAMAOB

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 6 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
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 (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-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 MAPT 639/4885HTT 2706/4885NPSR1 3975/4885

“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.