SCHEMBL16273620

SCHEMBL16273620

COc1c(C#N)c(-c2ccc(OCc3ccccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.36
PRKDC P78527 1/20 0.36
BRD4 O60885 5/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL16911022 0.89 CXCR2 (0.34) CXCR2BRD4ALDH1A1KDM4EHPGD
SCHEMBL17600282 0.89 KDM4E (0.34) PRKDCALDH1A1KDM4EHPGDMAPK1
SCHEMBL16273640 0.87 MRGPRX4 (0.34) CXCR2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL17600071 0.87 PTGER1 (0.35) PRKDCALDH1A1KDM4EHPGDKMT2A
SCHEMBL16273656 0.87 KDM4E (0.33) BRD4ALDH1A1KDM4EHPGDKMT2A
SCHEMBL17600113 0.86 KDM4E (0.34) PRKDCALDH1A1KDM4EHPGDKMT2A
SCHEMBL16273616 0.85 PRKDC (0.34) CXCR2PRKDCBRD4ALDH1A1KDM4E
SCHEMBL17600134 0.85 KDM4E (0.33) ALDH1A1KDM4EHPGDMAPK1KMT2A
SCHEMBL16273737 0.84 HPGD (0.36) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL16273750 0.83 SMN1; SMN2 (0.34) ALDH1A1KDM4EHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 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 (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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 CXCR2 1988/4885PRKDC 3100/4885BRD4 2174/4885

“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.