SCHEMBL17600301

SCHEMBL17600301

CCCn1n[c]c(Cl)c1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL17600276 0.86 TSHR (0.31)
SCHEMBL17600189 0.81 ABL1 (0.32) ABL1BCR
SCHEMBL17600178 0.81 ABL1 (0.32) ABL1BCR
SCHEMBL17600168 0.81 CYP1A2 (0.36) CYP1A2ALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL17600089 0.79 ALDH1A1 (0.38) CYP1A2ALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL17600116 0.79 CYP1A2 (0.36) CYP1A2ALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL17600314 0.77 TUBB4A (0.30)
SCHEMBL17600249 0.77
SCHEMBL17600138 0.73 POLB (0.32) CYP1A2ALDH1A1
SCHEMBL17600035 0.72

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 CYP1A2 12/4885ALDH1A1 409/4885ABL1 319/4885

“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.