SCHEMBL31365388

SCHEMBL31365388

COc1cc2[nH]c(=O)cc(C)c2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
BLM P54132 1/20 0.50
TNKS2 Q9H2K2 1/20 0.46
NQO2 P16083 6/20 0.46
CYP19A1 P11511 3/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL26607750 1.00 KDM4E (0.50) KDM4ETDP1MAPTBLMTNKS2
SCHEMBL6682269 0.82 CA12 (0.48) KDM4ETDP1MAPTBLM
SCHEMBL19146396 0.81 NQO2 (0.60) KDM4ETDP1MAPTBLMTNKS2
SCHEMBL12669659 0.79 NQO2 (0.43) KDM4ETDP1MAPTBLMNQO2
SCHEMBL359043 0.77 TDP1 (0.43) KDM4ETDP1MAPTBLMALDH1A1
SCHEMBL30349806 0.76 MAPT (0.52) KDM4ETDP1MAPTBLMNQO2
SCHEMBL27944806 0.76 GRIN2D (0.67) TDP1MAPTBLMCYP3A4ALOX15
SCHEMBL26607699 0.75 KDM4E (0.53) KDM4EMAPTTNKS2NQO2CYP19A1
SCHEMBL16896940 0.75 GRIN2D (0.57) KDM4ETNKS2NQO2CYP19A1ALDH1A1
SCHEMBL3827659 0.73 KDM4E (0.67) KDM4ETDP1MAPTBLMNQO2

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-20250382308-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION AS (US) 2025-12-18 US disclosed
CN-119365455-A Having a bromodomain active compounds 纽韦卢森公司 2025-01-24 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-20250382308-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, EP300 KDM4E 438/4885TDP1 1713/4885MAPT 908/4885

“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.