SCHEMBL798186

SCHEMBL798186

O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.79
SIRT2 Q8IXJ6 3/20 0.76
PTGS2 P35354 1/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HDAC1 Q13547 4/20 0.67
HDAC3 O15379 3/20 0.65
HDAC4 P56524 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
KCNH2 Q12809 1/20 0.65
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
BCHE P06276 1/20 0.62

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
SCHEMBL798226 1.00 MAOB (0.79) MAOBSIRT2PTGS2MEN1KMT2A
SCHEMBL30753637 1.00 MAOB (0.79) MAOBSIRT2PTGS2MEN1KMT2A
SCHEMBL27488695 0.92 SIRT2 (0.74) MAOBSIRT2PTGS2MEN1KMT2A
SCHEMBL27488694 0.92 SIRT2 (0.74) MAOBSIRT2PTGS2MEN1KMT2A
SCHEMBL4427822 0.89 PTGS2 (0.80) MAOBSIRT2PTGS2MEN1KMT2A
SCHEMBL28015276 0.89 PTGS2 (0.80) MAOBSIRT2PTGS2MEN1KMT2A
N-P-Coumaroyl Serotonin SCHEMBL471922 0.88 MAOB (1.00) MAOBSIRT2PTGS2MEN1KMT2A
N-P-Coumaroyl Serotonin SCHEMBL471921 0.88 MAOB (1.00) MAOBSIRT2PTGS2MEN1KMT2A
N-P-Coumaroyl Serotonin SCHEMBL29594565 0.88 MAOB (1.00) MAOBSIRT2PTGS2MEN1KMT2A
N-Cinnamoyl Serotonin SCHEMBL471939 0.86 MAOB (0.87) MAOBSIRT2PTGS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616439-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY Council of Scientific & Industrial Research (IN) 2013-07-24 EP claimed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 WO claimed
US-9295624-B2 Amide derivative and whitening agent AJINOMOTO CO., INC. (JP) 2016-03-29 US disclosed
EP-2616439-B1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL SCIENT IND RES (IN) 2015-12-16 EP disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC. (JP) 2014-09-11 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
EP-2616439-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY Council of Scientific & Industrial Research (IN) 2013-07-24 EP disclosed
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC (JP) 2012-03-22 US disclosed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 WO disclosed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 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 (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-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MAOB 416/4885SIRT2 283/4885PTGS2 2191/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR MAOB 416/4885SIRT2 283/4885PTGS2 2191/4885
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY HTRA2, AIFM1, SI MAOB 118/4885SIRT2 2051/4885PTGS2 240/4885

“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.