SCHEMBL3044362

SCHEMBL3044362

COC(=O)N(N)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL29202280 0.80 GPR3 (0.50) GPR3KMT2APOLBHDAC3HDAC4
SCHEMBL17456836 0.78 GPR3 (0.44) GPR3KMT2APOLBGAAHDAC3
SCHEMBL27819079 0.77 GPR3 (0.43) GPR3KMT2APOLBGAAHDAC3
SCHEMBL6187729 0.76 GPR3 (0.40) GPR3KMT2APOLBGAAHDAC3
SCHEMBL6502792 0.76 KMT2A (0.47) GPR3KMT2APOLBGAAHDAC3
SCHEMBL27549930 0.76 GPR3 (0.42) GPR3KMT2APOLBGAAHDAC3
SCHEMBL4603276 0.74 GPR3 (0.41) GPR3KMT2APOLBGAAHDAC3
SCHEMBL31355068 0.74 GPR3 (0.41) GPR3KMT2APOLBGAAHDAC3
SCHEMBL30510362 0.74 GPR3 (0.41) GPR3KMT2APOLBGAAHDAC3
SCHEMBL30510269 0.74 GPR3 (0.41) GPR3KMT2APOLBGAAHDAC3

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
EP-2160404-B1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS VALORISATION RECHERCHE LTD PARTNERSHIP (CA) 2016-08-24 — — EP 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 (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-20130203686-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS MSR1, ASGR1, SCARB1 GPR3 468/4885KMT2A 1958/4885POLB 2269/4885
US-20100210566-A1 AZAPEPTIDES AS CD36 BINDING COMPOUNDS GHRHR, GHSR, GNRHR GPR3 230/4885KMT2A 2301/4885POLB 3608/4885

“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.

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