SCHEMBL17899402

SCHEMBL17899402

NC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(COC3CCOCC3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
F10 P00742 1/20 0.39
MAPT P10636 5/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
CTPS1 P17812 1/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL17888567 0.84 OPRK1 (0.39) ICAM1SELEPARP10
SCHEMBL17888686 0.83 ICAM1 (0.38) ICAM1SELEPARP10
SCHEMBL17899370 0.83 PDE4D (0.39) ICAM1SELEPARP10
SCHEMBL17899371 0.82 ICAM1 (0.41) KDM4ESMN1; SMN2LMNAHPGDMAPT
SCHEMBL17899367 0.77 MAPT (0.48) KDM4EPOLBALDH1A1GAAL3MBTL1
SCHEMBL3492009 0.75 PDE4D (0.50) POLBKMT2ACTPS1PARP1
SCHEMBL17899157 0.74 PDE4D (0.39)
SCHEMBL17888598 0.72 PARP10 (0.38) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL17899127 0.71 CHEK2 (0.38) PARP10
SCHEMBL17888640 0.71 MAPT (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI KDM4E 954/4885POLB 3402/4885ALDH1A1 2733/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 KDM4E 730/4885POLB 903/4885ALDH1A1 2793/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A KDM4E 783/4885POLB 874/4885ALDH1A1 3115/4885

“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.