SCHEMBL13402249

SCHEMBL13402249

O=C1NC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.51
GAA P10253 2/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL15678813 0.88 KDM4E (0.79) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL31702781 0.85 KDM4E (0.74) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL29258994 0.85 KDM4E (0.74) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL31702772 0.85 KDM4E (0.74) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL31702787 0.85 KDM4E (0.74) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL5624732 0.79 MEN1 (0.77) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11267862 0.75 MAOB (0.62) KDM4EHSD17B10KMT2AMEN1
SCHEMBL11267867 0.75 MAOB (0.62) KDM4EHSD17B10KMT2AMEN1
SCHEMBL11252794 0.73 KDM4E (0.58) KDM4EALDH1A1KMT2AGAA
SCHEMBL12825524 0.72 DNMT3B (0.64) KDM4EALDH1A1KMT2AGAA

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-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US 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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 KDM4E 1696/4885ALDH1A1 2436/4885HSD17B10 1610/4885

“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.