SCHEMBL17804252

SCHEMBL17804252

Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
KMO O15229 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
XDH P47989 1/20 0.33
TDP2 O95551 1/20 0.32
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
POLB P06746 1/20 0.31
SYK P43405 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NFKB1 P19838 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
SCHEMBL17796900 0.91 ALDH1A1 (0.35) GRM2CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL17614527 0.87 GRM2 (0.36) GRM2KMOXDHTDP2SMN1; SMN2
SCHEMBL17806065 0.86 MRGPRX4 (0.40) TDP2MAPTSYKSMN1; SMN2NPC1
SCHEMBL17614564 0.85 KMO (0.41) GRM2KMOXDHNPC1RAB9A
SCHEMBL17811678 0.84 CYP3A4 (0.37) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL16437129 0.84 GRM2 (0.38) GRM2KMOCYP3A4CYP2C9CYP1A2
SCHEMBL16442863 0.83 MRGPRX4 (0.43) MAPTRXFP1POLBSMN1; SMN2TP53
SCHEMBL16442828 0.83 SYK (0.33) CYP3A4CYP2C9TDP2POLBSYK
SCHEMBL16425490 0.82 ATP4A (0.35) GRM2KMOXDHMAPTSMN1; SMN2
SCHEMBL17804251 0.82 GRM2 (0.38) GRM2CYP3A4CYP2C9CYP1A2CYP2D6

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 GRM2 2781/4885KMO 1628/4885CYP3A4 39/4885

“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.