SCHEMBL17811642

SCHEMBL17811642

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KCNN4 O15554 1/20 0.33
HSD11B1 P28845 8/20 0.32
BDKRB2 P30411 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 2/20 0.31
LMNA P02545 1/20 0.30
PIK3CD O00329 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL17804254 0.90 PDCD1 (0.34) ALDH1A1
SCHEMBL17804245 0.85 SMN1; SMN2 (0.36) PDE2APDE10AKCNN4ALDH1A1
SCHEMBL16437199 0.85 FFAR1 (0.35) PDE10A
SCHEMBL17804247 0.84 KDM5A (0.33) KCNN4ALDH1A1
SCHEMBL16442826 0.83 BDKRB2 (0.36) KCNN4HSD11B1BDKRB2TRPA1LMNA
SCHEMBL17811643 0.83 GABRA5 (0.39) PDE10A
SCHEMBL17796912 0.83 GRM5 (0.38) ALDH1A1LMNA
SCHEMBL17811666 0.83 PPARG (0.34) RXRAGRIN1GRIN2B
SCHEMBL17804259 0.82 BRD9 (0.33)
SCHEMBL16442796 0.82 S1PR1 (0.34) PDE2APDE10ABDKRB2

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
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

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 PDE2A 3703/4885PDE10A 2709/4885KCNN4 1948/4885

“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.