SCHEMBL13702277

SCHEMBL13702277

CCNC(=O)c1cccc(C(=O)NCc2cccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ LMNA P02545 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ TSHR P16473 3/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ BLM P54132 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ TRPV1 Q8NER1 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ PKM P14618 1/20 0.59

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
SCHEMBL14030202 0.89 L3MBTL1 (0.64) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL29818102 0.86 MEN1 (0.64) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL13947589 0.86 LMNA (0.78) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL1927468 0.86 MEN1 (0.64) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL3647370 0.86 ALDH1A1 (0.64) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL13701788 0.86 L3MBTL1 (0.65) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL13702330 0.85 GAA (0.62) LMNAHTTTSHRMAPK1CYP3A4
SCHEMBL7082686 0.84 TSHR (0.73) ALDH1A1NPSR1USP2LMNAHTT
SCHEMBL11628250 0.84 NPSR1 (0.67) L3MBTL1ALDH1A1NPSR1USP2LMNA
SCHEMBL29437184 0.84 NPC1 (0.61) L3MBTL1ALDH1A1NPSR1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — 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 (1 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX L3MBTL1 3938/4885ALDH1A1 376/4885NPSR1 3715/4885

“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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