SCHEMBL2188060

SCHEMBL2188060

Cn1ncc(N2CCCCC2)c(-c2ccccc2C=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ALDH1A1 P00352 9/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ALOX12 P18054 1/20 0.38
MAP2K1 Q02750 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL2186750 0.99 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL12281014 0.89 ITGB1 (0.40) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL12284425 0.88 ITGB1 (0.41) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL2188881 0.86 ITGB1 (0.39) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL2188876 0.86 ITGB1 (0.39) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL2214126 0.85 ITGB1 (0.39) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL2214129 0.85 ITGB1 (0.39) NPC1RAB9ASMN1; SMN2ITGB1ITGA4
SCHEMBL2187047 0.74 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2185834 0.74 HIF1A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL31167266 0.69 KEAP1 (0.52) NPC1SMN1; SMN2ALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 1221/4885RAB9A 3445/4885SMN1; SMN2 190/4885

“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.