SCHEMBL3604526

SCHEMBL3604526

O=c1cc(Cl)c2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.58
DAO P14920 1/20 0.53
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44

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
SCHEMBL31169728 0.87 CA12 (0.58) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20183771 0.87 CA12 (0.58) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3592366 0.81 PARP1 (0.58) PARP1DAOGRIA1GRIA2GRIA3
SCHEMBL29993384 0.79 PARP1 (0.73) PARP1DAOGRIA1GRIA2GRIA3
SCHEMBL6008297 0.79 PARP1 (0.73) PARP1DAOGRIA1GRIA2GRIA3
SCHEMBL29236590 0.77 PKM (0.56) PARP1DAOGRIA1GRIA2GRIA3
SCHEMBL30918930 0.76 PARP1 (0.56) PARP1DAOGRIA1GRIA2GRIA3
SCHEMBL2796184 0.75 TP53 (0.70) PARP1DAOALDH1A1CA12CA9
SCHEMBL29410772 0.75 TP53 (0.70) PARP1DAOALDH1A1CA12CA9
SCHEMBL3591814 0.74 ALDH1A1 (0.53) PARP1POLBALDH1A1MEN1KMT2A

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 3 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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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 PARP1 1468/4885DAO 1880/4885GRIA1 1858/4885

“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.