SCHEMBL17811645

SCHEMBL17811645

Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)nc2C)c(C#N)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL17811646 0.92 GABRG2 (0.33)
SCHEMBL17804247 0.91 KDM5A (0.33) GRM2KDM5A
SCHEMBL16437136 0.91 XDH (0.34)
SCHEMBL17811644 0.86 L3MBTL1 (0.31)
SCHEMBL17811654 0.85 CA12 (0.33) KDM5A
SCHEMBL17811641 0.85 BRD9 (0.34)
SCHEMBL17804259 0.85 BRD9 (0.33)
SCHEMBL17815558 0.84 F11 (0.35) GRM2
SCHEMBL17804254 0.84 PDCD1 (0.34)
SCHEMBL17804248 0.84 CYP11B2 (0.33) KDM4C

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 2 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 GRM2 2781/4885KDM5A 2426/4885KDM4C 2296/4885

“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.