SCHEMBL3603566

SCHEMBL3603566

CN1C(=O)N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KAT2B Q92831 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
POLB P06746 2/20 0.42
PGR P06401 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 2/20 0.41
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3598510 0.80 DRD3 (0.42) ALDH1A1POLBKMT2AACHE
SCHEMBL13545313 0.78 NR3C1 (0.48) L3MBTL1POLBKMT2AACHE
SCHEMBL8177410 0.76 DRD2 (0.49) CASP1CASP3CASP4CASP7CASP9
SCHEMBL3596541 0.76 MAPK1 (0.47) CASP1CASP3CASP4CASP7CASP9
SCHEMBL23768998 0.74 CASP1 (0.52) CASP1CASP3CASP4CASP7CASP9
SCHEMBL30806697 0.74 CASP1 (0.55) CASP1CASP3CASP4CASP7CASP9
SCHEMBL27376910 0.74 CASP1 (0.55) CASP1CASP3CASP4CASP7CASP9
SCHEMBL23768997 0.72 CASP1 (0.59) CASP1CASP3CASP4CASP7CASP9
SCHEMBL1997187 0.71 MAPT (0.50) ALDH1A1LMNAL3MBTL1RAB9APOLB
SCHEMBL9453743 0.71 HDAC6 (0.58) CASP1CASP3CASP4CASP7CASP9

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 CASP1 749/4885CASP3 106/4885CASP4 1274/4885

“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.