SCHEMBL3001267

SCHEMBL3001267

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc2cc(OC)ccc2nc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.70
HSD17B10 Q99714 6/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 13/20 0.55
HPGD P15428 7/20 0.55
CASP1 P29466 4/20 0.55
CASP7 P55210 4/20 0.55
GAA P10253 3/20 0.55
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.52
BAP1 Q92560 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 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
SCHEMBL4256064 0.84 KDM4E (0.73) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL12135798 0.82 KDM4E (1.00) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3323749 0.82 KDM4E (0.86) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3325547 0.80 KDM4E (0.72) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3003580 0.79 KDM4E (0.82) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL4260123 0.77 KDM4E (0.67) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3328880 0.77 KDM4E (0.65) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3320549 0.76 KDM4E (0.77) KDM4EHSD17B10ALDH1A1HPGDCASP1
SCHEMBL10953920 0.76 KDM4E (0.77) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL3323430 0.75 KDM4E (0.76) KDM4EHSD17B10TP53POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885TP53 1495/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885TP53 1495/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885TP53 1495/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885TP53 1495/4885

“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.