SCHEMBL3046952

SCHEMBL3046952

O=C(NNCC1CCCCC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
EPHX2 P34913 1/20 0.50
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL10137468 0.87 KMT2A (0.54) KMT2AEPHX2
SCHEMBL24520149 0.87 KMT2A (0.54) KMT2AEPHX2
SCHEMBL10137494 0.86 KMT2A (0.55) KMT2AEPHX2
SCHEMBL30759497 0.83 KMT2A (0.55) KMT2AEPHX2FABP7FABP5
SCHEMBL13020981 0.80 KMT2A (0.57) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL21578387 0.80 KMT2A (0.55) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL21578301 0.80 KMT2A (0.55) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL23843568 0.80 KMT2A (0.55) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL12598575 0.79 KMT2A (0.54) KMT2AEPHX2
SCHEMBL13555711 0.79 KMT2A (0.54) KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708370-B2 Azapeptides as CD36 binding compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2017-07-18 US disclosed
EP-2160404-B1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS VALORISATION RECHERCHE LTD PARTNERSHIP (CA) 2016-08-24 EP disclosed
US-20150329591-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2015-11-19 US disclosed
US-9115171-B2 Azapeptides as CD36 binding compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2015-08-25 US disclosed
US-20130203686-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS INSERM (FR) 2013-08-08 US disclosed
US-8435954-B2 Azapeptides as CD36 binding compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2013-05-07 US disclosed
US-20100210566-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-08-19 US disclosed
EP-2160404-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS UNIVERSITE DE MONTREAL (CA) 2010-03-10 EP disclosed
WO-2008154738-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS UNIVERSITE DE MONTREAL (CA) 2008-12-24 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-20150329591-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS MSR1, ASGR1, LDLR KMT2A 2238/4885EPHX2 2196/4885HDAC3 814/4885
US-20130203686-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS MSR1, ASGR1, SCARB1 KMT2A 1958/4885EPHX2 2387/4885HDAC3 936/4885
US-20100210566-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS GHRHR, GHSR, GNRHR KMT2A 2301/4885EPHX2 3705/4885HDAC3 855/4885

“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.