SCHEMBL16273640

SCHEMBL16273640

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.34
KDM4E B2RXH2 6/20 0.33
HPGD P15428 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CXCR2 P25025 1/20 0.33
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGER1 P34995 1/20 0.32
MEN1 O00255 3/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 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
SCHEMBL17600282 0.91 KDM4E (0.34) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL17600071 0.90 PTGER1 (0.35) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL16273656 0.90 KDM4E (0.33) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL17600134 0.89 KDM4E (0.33) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL16920743 0.89 TP53 (0.32) MRGPRX4CXCR2PTGER1RXFP1
SCHEMBL17600113 0.88 KDM4E (0.34) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL16273620 0.87 CXCR2 (0.36) KDM4EHPGDSMN1; SMN2HTTCXCR2
SCHEMBL16273737 0.86 HPGD (0.36) MRGPRX4KDM4EHPGDHTTKMT2A
SCHEMBL16273750 0.85 SMN1; SMN2 (0.34) MRGPRX4KDM4EHPGDSMN1; SMN2HTT
SCHEMBL16273642 0.84 HPGD (0.35) MRGPRX4KDM4EHPGDSMN1; SMN2HTT

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 MRGPRX4 2185/4885KDM4E 2537/4885HPGD 4259/4885

“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.