SCHEMBL3588993

SCHEMBL3588993

O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.60
GRIA2 P42262 2/20 0.60
GRIA3 P42263 2/20 0.60
GRIA4 P48058 2/20 0.60
PARP1 P09874 2/20 0.58
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
DAO P14920 1/20 0.49
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
NOS1 P29475 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
NPBWR1 P48145 1/20 0.44
HRH4 Q9H3N8 1/20 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
SCHEMBL20267527 0.87 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29533215 0.87 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4969287 0.81 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7257404 0.81 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL3598675 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8828087 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL3600441 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8687546 0.77 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4427396 0.76 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8746891 0.76 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4PARP1

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 GRIA1 1858/4885GRIA2 2053/4885GRIA3 883/4885

“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.