SCHEMBL17804247

SCHEMBL17804247

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccccc2C#N)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32
GABRA5 P31644 1/20 0.32
GRM2 Q14416 1/20 0.31
KCNN4 O15554 1/20 0.31
ADORA2A P29274 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL17804249 0.91 KDM5A (0.32) KDM5AALDH1A1DPP4GABRA5GRM2
SCHEMBL17811645 0.91 GRM2 (0.32) KDM5AGRM2
SCHEMBL16437306 0.91 KCNN4 (0.39) ALDH1A1KCNN4
SCHEMBL17804254 0.90 PDCD1 (0.34) ALDH1A1DPP4CYP3A4CYP2C9
SCHEMBL17811646 0.90 GABRG2 (0.33) GABRA5
SCHEMBL16437136 0.89 XDH (0.34) ADORA2A
SCHEMBL17811654 0.89 CA12 (0.33) KDM5AGABRA5
SCHEMBL16206098 0.88 GRM2 (0.37) KDM5AALDH1A1DPP4GABRA5GRM2
SCHEMBL17804261 0.87 KDM5A (0.33) KDM5AALDH1A1DPP4GRM2KCNN4
SCHEMBL17804248 0.86 CYP11B2 (0.33) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed
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 2426/4885ALDH1A1 811/4885DPP4 2784/4885

“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.