SCHEMBL1326322

SCHEMBL1326322

C=CCNc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
SIRT2 Q8IXJ6 5/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 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
SCHEMBL3175264 0.86 MAPT (0.49) AGTR1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29915668 0.84 ALDH1A1 (0.57) AGTR1KMT2AKDM4EALDH1A1HPGD
SCHEMBL587283 0.84 ALDH1A1 (0.57) AGTR1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2510669 0.84 MAPT (0.48) AGTR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6293999 0.83 KDM4E (0.51) AGTR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28409108 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL10712712 0.82 GAA (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11076023 0.81 HPGD (0.47) AGTR1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5707634 0.81 POLB (0.51) AGTR1KDM4EALDH1A1HPGDMAPT
SCHEMBL5180569 0.80 GAA (0.48) AGTR1KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526924-B2 Composition comprising a screening agent of the lipophilic 2-hydroxybenzophenone type and a silicon-compromising s-triazine substituted by at least two alkylaminobenzoate groups L'OREAL (FR) 2016-12-27 US disclosed
EP-2470158-B1 COMPOSITION CONTAINING AT LEAST ONE LIPOPHILIC 2-HYDROXYBENZOPHENONE FILTER AND A SILICON S-TRIAZINE SUBSTITUTED BY AT LEAST TWO ALKYLAMINOBENZOATE GROUPS ORÉAL L (FR) 2016-10-05 EP disclosed
CN-101535412-B New ds DNA binding fluorescent dyes HOFFMANN LA ROCHE 2014-05-07 CN disclosed
US-20120201767-A1 COMPOSITION COMPRISING A SCREENING AGENT OF THE LIPOPHILIC 2-HYDROXYBENZOPHENONE TYPE AND A SILICON-COMPRISING S-TRIAZINE SUBSTITUTED BY AT LEAST TWO ALKYLAMINOBENZOATE GROUPS L'OREAL (FR) 2012-08-09 US disclosed
EP-2470158-A2 COMPOSITION CONTAINING AT LEAST ONE LIPOPHILIC 2-HYDROXYBENZOPHENONE FILTER AND A SILICON S-TRIAZINE SUBSTITUTED BY AT LEAST TWO ALKYLAMINOBENZOATE GROUPS L'Oréal (FR) 2012-07-04 EP disclosed
US-8058431-B2 Fluorescent double stranded DNA binding dyes ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-11-15 US disclosed
WO-2011023886-A2 COMPOSITION CONTAINING AT LEAST ONE LIPOPHILIC 2-HYDROXYBENZOPHENONE FILTER AND A SILICON S-TRIAZINE SUBSTITUTED BY AT LEAST TWO ALKYLAMINOBENZOATE GROUPS L'OREAL (FR) 2011-03-03 WO disclosed
EP-2087043-B1 NEW DS DNA BINDING FLUORESCENT DYES ROCHE DIAGNOSTICS GMBH (DE) 2010-08-04 EP disclosed
US-20090275037-A1 FLUORESCENT DOUBLE STRANDED DNA BINDING DYES ROCHE DIAGNOSTICS OPERATIONS, INC. 2009-11-05 US disclosed
CN-101535412-A New ds DNA binding fluorescent dyes ROCHE DIAGNOSTICS GMBH (CH) 2009-09-16 CN disclosed
EP-2087043-A1 NEW DS DNA BINDING FLUORESCENT DYES Roche Diagnostics GmbH (DE) 2009-08-12 EP disclosed
WO-2008052742-A1 NEW DS DNA BINDING FLUORESCENT DYES ROCHE DIAGNOSTICS GMBH (DE) 2008-05-08 WO disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
US-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 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 (2 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-20120201767-A1 COMPOSITION COMPRISING A SCREENING AGENT OF THE LIPOPHILIC 2-HYDROXYBENZOPHENONE TYPE AND A SILICON-COMPRISING S-TRIAZINE SUBSTITUTED BY AT LEAST TWO ALKYLAMINOBENZOATE GROUPS STS, TST, ARSA AGTR1 3469/4885MEN1 3040/4885KMT2A 1431/4885
US-20090275037-A1 FLUORESCENT DOUBLE STRANDED DNA BINDING DYES PCNA, DDB1, SSBP1 AGTR1 2487/4885MEN1 1811/4885KMT2A 1395/4885

“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.