SCHEMBL2186990

SCHEMBL2186990

C=CCOc1cc(Br)ccc1/C(C)=N/O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
FLT3 P36888 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
LIG1 P18858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL2545494 1.00 HPGD (0.55) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL2185558 0.89 HPGD (0.58) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL2550664 0.89 HPGD (0.58) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL2187527 0.82 ALDH1A1 (0.50) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL15255317 0.82 ALDH1A1 (0.50) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL10737872 0.78 GAA (0.60) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL9868423 0.77 MEN1 (0.48) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL5210543 0.75 HPGD (0.58) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL15255320 0.74 HPGD (0.54) HPGDALDH1A1MEN1KMT2AHTT
SCHEMBL2187709 0.74 PTGDR2 (0.64) HPGDALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 1989/4885ALDH1A1 44/4885MEN1 4622/4885

“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.