SCHEMBL17804261

SCHEMBL17804261

Cc1cc(-c2ccccc2C#N)c(C)nc1OCc1c(C)cccc1-n1nnn(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
DPP4 P27487 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM5 P41594 1/20 0.31
GRM2 Q14416 1/20 0.31
KCNN4 O15554 1/20 0.31
ADORA2A P29274 1/20 0.30
CTSA P10619 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17804255 0.90 CYP3A4 (0.32) CYP3A4CYP2C9
SCHEMBL17804247 0.87 KDM5A (0.33) KDM5ADPP4CYP3A4CYP2C9GRM2
SCHEMBL17806086 0.86 KCNN4 (0.34) KDM5ADPP4CYP3A4CYP2C9GRM5
SCHEMBL16437284 0.86 SMN1; SMN2 (0.35) CYP3A4CYP2C9KCNN4CTSAALDH1A1
SCHEMBL17796908 0.85 CYP3A4 (0.32) CYP3A4CYP2C9ADORA2AALDH1A1
SCHEMBL16437158 0.84 CYP3A4 (0.31) CYP3A4CYP2C9
SCHEMBL16437165 0.84 FGFR1 (0.30)
SCHEMBL17811675 0.83 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL16437464 0.83 CYP3A4 (0.33) CYP3A4CYP2C9GRM5ALDH1A1
SCHEMBL16437151 0.83 HCRTR1 (0.31) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029035-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 KDM5A 2426/4885DPP4 2784/4885CYP3A4 39/4885

“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.