SCHEMBL14900910

SCHEMBL14900910

O=[N+]([O-])c1ccc(-c2oc3cc4c(-c5ccccc5)c(-c5ccc([N+](=O)[O-])cc5)oc4cc3c2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL14904707 0.87 KMT2A (0.46) KMT2ATNKSPARP1CSNK2A2CSNK2B
SCHEMBL14900891 0.84 ALDH1A1 (0.41) KMT2ATNKSPARP1CSNK2A2CSNK2B
SCHEMBL18590853 0.82 PLA2G2A (0.48) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL10014188 0.82 ALOX15 (0.47) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL12787520 0.77 ALOX15 (0.46) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL9666436 0.77 ALDH1A1 (0.65) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14900901 0.76 MEN1 (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9952445 0.75 KMT2A (0.57) KMT2ATNKSPARP1CSNK2A2CSNK2B
SCHEMBL28158551 0.75 KMT2A (0.57) KMT2ATNKSPARP1CSNK2A2CSNK2B
SCHEMBL11910207 0.74 PLA2G2A (0.42) KMT2AMEN1MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170069850-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 US disclosed
US-20170069850-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 US disclosed
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
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 2094/4885TNKS 3266/4885PARP1 693/4885

“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.