SCHEMBL1274891

SCHEMBL1274891

CCOC(=O)C=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.40
PIN1 Q13526 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1274890 1.00 MAPT (0.47) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL9574970 1.00 MAPT (0.47) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL30935225 0.84 ALDH1A1 (0.46) MAPTPOLBNPC1ALDH1A1MAPK1
SCHEMBL29099596 0.84 ALDH1A1 (0.46) MAPTPOLBNPC1ALDH1A1MAPK1
SCHEMBL29099498 0.84 ALDH1A1 (0.46) MAPTPOLBNPC1ALDH1A1MAPK1
SCHEMBL30185564 0.84 ALDH1A1 (0.46) MAPTPOLBNPC1ALDH1A1MAPK1
SCHEMBL30185573 0.84 ALDH1A1 (0.46) MAPTPOLBNPC1ALDH1A1MAPK1
SCHEMBL23124816 0.83 NQO2 (0.49) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL15280988 0.83 CES2 (0.49) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL23124814 0.83 NQO2 (0.49) MAPTNPSR1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
EP-2283833-A2 Amines and amides for the treatment of diseases LA JOLLA PHARMACEUTICAL CO. (US) 2011-02-16 EP disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 US disclosed
EP-1732531-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-12-20 EP disclosed
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY 2006-02-02 US disclosed
WO-2005082343-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-09-09 WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 EP 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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 MAPT 1330/4885NPSR1 4194/4885POLB 568/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 MAPT 1330/4885NPSR1 4194/4885POLB 568/4885
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC3, AOC2 MAPT 2764/4885NPSR1 3188/4885POLB 446/4885

“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.