SCHEMBL16437201

SCHEMBL16437201

COc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=S)nc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SYK P43405 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
PIK3CD O00329 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
SCHEMBL17811664 0.92
SCHEMBL17804244 0.89 BRD9 (0.36) MEN1KMT2ABRD9BRD7ALDH1A1
SCHEMBL17804259 0.80 BRD9 (0.33) BRD9BRD7
SCHEMBL17815775 0.80 ADORA3 (0.33) BRD9BRD7ALDH1A1HPGDMAPK1
SCHEMBL17804238 0.80 BRD9 (0.37) BRD9BRD7MAPT
SCHEMBL16437199 0.79 FFAR1 (0.35) BRD9BRD7
SCHEMBL17811640 0.79 MAPT (0.34) BRD9BRD7MAPT
SCHEMBL17811643 0.79 GABRA5 (0.39) BRD9BRD7
SCHEMBL16437138 0.78 ADORA3 (0.37) MAPK14KDM4EPIK3CD
SCHEMBL17804258 0.77 HTR1A (0.34) BRD9BRD7ALDH1A1KDM4ETSHR

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
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
WO-2015016372-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO 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 MEN1 1737/4885KMT2A 2904/4885BRD9 3457/4885

“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.