SCHEMBL16273616

SCHEMBL16273616

Cc1cc(-c2nn(C)c(C#N)c2C)ccc1OCc1ccccc1-n1nnn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
CD274 Q9NZQ7 2/20 0.31
CXCR2 P25025 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
BRD4 O60885 1/20 0.30
PTGER1 P34995 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16273742 0.92 MEN1 (0.33) PRKDCMEN1CYP1A2KMT2AALDH1A1
SCHEMBL16911653 0.90 MEN1 (0.32) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL16627211 0.89 MRGPRX4 (0.32) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL19987546 0.87 PRKDC (0.33) PRKDCMEN1CYP1A2KMT2AALDH1A1
SCHEMBL19987549 0.86 HPGD (0.35) MEN1CYP1A2KMT2AHPGDMRGPRX4
SCHEMBL16910875 0.86 NR1H4 (0.35) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL16273642 0.86 HPGD (0.35) MEN1CYP1A2KMT2AALDH1A1HPGD
SCHEMBL16273737 0.86 HPGD (0.36) MEN1CYP1A2KMT2AALDH1A1CYP3A4
SCHEMBL17600282 0.86 KDM4E (0.34) PRKDCMEN1CYP1A2KMT2AALDH1A1
SCHEMBL16273620 0.85 CXCR2 (0.36) PRKDCMEN1CYP1A2KMT2AALDH1A1

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 10 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
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 PRKDC 3100/4885MEN1 2368/4885CYP1A2 12/4885

“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.