SCHEMBL17804245

SCHEMBL17804245

COc1ccccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNN4 O15554 6/20 0.35
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DPP4 P27487 1/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL17799626 0.94 KCNN4 (0.36) SMN1; SMN2L3MBTL1KCNN4HCRTR1HCRTR2
SCHEMBL17804254 0.91 PDCD1 (0.34) DPP4TSHRNPC1HPGDRAB9A
SCHEMBL17811644 0.91 L3MBTL1 (0.31) SMN1; SMN2L3MBTL1TSHRHPGDRAB9A
SCHEMBL17811649 0.91 KCNN4 (0.34) SMN1; SMN2L3MBTL1KCNN4HCRTR1HCRTR2
SCHEMBL16437138 0.90 ADORA3 (0.37) SMN1; SMN2CYP1A2CYP3A4
SCHEMBL17796907 0.89 MEN1 (0.34) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL16205963 0.88 GRM2 (0.37) SMN1; SMN2L3MBTL1KCNN4DPP4TSHR
SCHEMBL17804260 0.88 KCNN4 (0.32) KCNN4HCRTR1HCRTR2DPP4TSHR
SCHEMBL16437199 0.87 FFAR1 (0.35) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16437284 0.86 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1KCNN4TSHRHPGD

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 SMN1; SMN2 3907/4885L3MBTL1 738/4885KCNN4 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.