SCHEMBL14904707

SCHEMBL14904707

O=[N+]([O-])c1ccc(-c2[nH]c3cc4c(-c5ccccc5)c(-c5ccc([N+](=O)[O-])cc5)oc4cc3c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ELANE P08246 1/20 0.41
FASN P49327 1/20 0.41
PTGS2 P35354 10/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 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
SCHEMBL14904698 0.87 MAPT (0.54) KMT2AMEN1MAPTL3MBTL1TNKS
SCHEMBL14900910 0.87 KMT2A (0.50) KMT2AMEN1MAPTL3MBTL1TNKS
SCHEMBL14904710 0.82 ESR1 (0.44) KMT2AMEN1MAPTPTGS2ESR1
SCHEMBL16454839 0.78 ESR1 (0.67) KMT2AMEN1MAPTL3MBTL1FASN
SCHEMBL14900891 0.73 ALDH1A1 (0.41) KMT2AMEN1MAPTL3MBTL1TNKS
SCHEMBL18590853 0.72 PLA2G2A (0.48) KMT2AMEN1MAPTPTGS2
SCHEMBL10014188 0.71 ALOX15 (0.47) KMT2AMEN1MAPTPTGS2
SCHEMBL18610257 0.71 ESR1 (0.73) MAPTPTGS2ESR1ESR2
SCHEMBL9666436 0.70 ALDH1A1 (0.65) KMT2AMEN1MAPTL3MBTL1FASN
SCHEMBL2290102 0.70 MEN1 (0.58) KMT2AMEN1MAPTFASNPTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-02 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-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNE2 KMT2A 2094/4885MEN1 561/4885MAPT 1775/4885

“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.