SCHEMBL17600157

SCHEMBL17600157

CCCn1n[c]c(C)c1OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 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
SCHEMBL16911150 0.85 PDE1A (0.30)
SCHEMBL17600147 0.83 MPO (0.32) MPOALDH1A1ADORA2AADORA2B
SCHEMBL17600062 0.82 POLB (0.32)
SCHEMBL17600089 0.80 ALDH1A1 (0.38) MPOALDH1A1CYP2C9MEN1KMT2A
SCHEMBL17600087 0.80 MPO (0.33) MPOL3MBTL1ATM
SCHEMBL17600178 0.79 ABL1 (0.32)
SCHEMBL16910682 0.79 NQO1 (0.31) MPOATMMAPT
SCHEMBL17600018 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17600057 0.77
SCHEMBL16911110 0.74 ADORA2A (0.34) ALDH1A1CYP2C9MEN1KMT2ACYP2C19

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 4 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
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

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 MPO 161/4885ALDH1A1 409/4885CYP2C9 135/4885

“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.