SCHEMBL2549761

SCHEMBL2549761

Cn1ncc(N2CCCCC2)c(Cl)c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 4/20 0.56
PKM P14618 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 3/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KAT2B Q92831 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BRD9 Q9H8M2 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL2550526 0.98 ALDH1A1 (0.58) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL2547161 0.87 ALDH1A1 (0.60) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL20831802 0.85 ALDH1A1 (0.56) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL9124077 0.84 PKM (0.54) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL16133060 0.81 ALDH1A1 (0.55) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL23573211 0.80 ALDH1A1 (0.50) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL2187047 0.78 RAB9A (0.41) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL2188990 0.73 ALDH1A1 (0.43) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL2188995 0.73 ALDH1A1 (0.43) RAB9AGAAALDH1A1PKMNPC1
SCHEMBL9956371 0.72 RAB9A (0.45) RAB9AGAAALDH1A1PKMNPC1

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 3 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

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 RAB9A 3445/4885GAA 1315/4885ALDH1A1 44/4885

“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.