SCHEMBL1294652

SCHEMBL1294652

CS(=O)(=O)c1cccc(C/C=C(/F)CN)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.42
ADRA1D P25100 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
LOX P28300 1/20 0.38
HTR6 P50406 1/20 0.37
KIF11 P52732 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
DRD2 P14416 2/20 0.36
CARM1 Q86X55 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1294657 1.00 LOXL2 (0.42) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL1294656 1.00 LOXL2 (0.42) LOXL2ADRA1DALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL1295694 0.99 LOXL2 (0.43) LOXL2ADRA1DALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL1295691 0.99 LOXL2 (0.43) LOXL2ADRA1DALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL1295688 0.99 LOXL2 (0.43) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL12106858 0.87 ALDH1A1 (0.41) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL1296219 0.77 ALDH1A1 (0.39) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL1296217 0.77 ALDH1A1 (0.39) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL1296215 0.77 ALDH1A1 (0.39) LOXL2ADRA1DALDH1A1GAAHSD17B10
SCHEMBL1295131 0.77 TAAR1 (0.49) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US claimed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US claimed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP claimed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US claimed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO claimed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 LOXL2 160/4885ADRA1D 666/4885ALDH1A1 76/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 LOXL2 160/4885ADRA1D 666/4885ALDH1A1 76/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 LOXL2 160/4885ADRA1D 666/4885ALDH1A1 76/4885

“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.