SCHEMBL3591936

SCHEMBL3591936

[NH]c1cccc2c1OC(CCO)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
PARP1 P09874 1/20 0.33
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL3602223 0.77 L3MBTL1 (0.44) L3MBTL1ALDH1A1HPGDGAACYP3A4
SCHEMBL5670577 0.76 L3MBTL1 (0.58) L3MBTL1ALDH1A1HPGDGAAKMT2A
SCHEMBL3635930 0.74 PARP1 (0.56) BRD4TRPV1PARP1TP53CREBBP
SCHEMBL3593519 0.74 PARP1 (0.56) BRD4TRPV1PARP1TP53CREBBP
SCHEMBL3637562 0.74 PARP1 (0.56) BRD4TRPV1PARP1TP53CREBBP
SCHEMBL3598938 0.71 L3MBTL1 (0.53) L3MBTL1BRD4ALDH1A1HPGDGAA
SCHEMBL3597209 0.71 L3MBTL1 (0.63) L3MBTL1GAACYP3A4TRPV1KMT2A
SCHEMBL7478261 0.69 L3MBTL1 (0.44) L3MBTL1ALDH1A1CYP3A4TRPV1KMT2A
SCHEMBL7471863 0.66 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDGAACYP3A4
SCHEMBL17055837 0.66 L3MBTL1 (0.63) L3MBTL1ALDH1A1GAACYP3A4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 L3MBTL1 1176/4885BRD4 706/4885ALDH1A1 1904/4885

“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.