SCHEMBL16206002

SCHEMBL16206002

Cc1cccc(-n2nnn(C)c2=O)c1COc1cccc(-c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SLC22A12 Q96S37 1/20 0.39
GRM5 P41594 1/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP19A1 P11511 3/20 0.38
SMPD1 P17405 1/20 0.38
POLB P06746 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL17614550 0.90 SLC22A12 (0.39) SLC22A12GRIN1GRIN2BALDH1A1FFAR1
SCHEMBL17811648 0.89 CYP2A6 (0.36) MAPTGRM5CYP11B1CYP11B2CYP19A1
SCHEMBL16205967 0.89 SLC22A12 (0.42) SLC22A12ALDH1A1FFAR1
SCHEMBL17788121 0.89 BACE1 (0.38) MAPTCYP11B1CYP11B2CYP19A1SMPD1
SCHEMBL16206110 0.89 BRD4 (0.38) MAPTSLC22A12CHRNB1CHRNB2CHRNB4
SCHEMBL18021070 0.88 GPR132 (0.43) MAPT
SCHEMBL16206146 0.88 SLC22A12 (0.42) MAPTSLC22A12POLBFFAR1
SCHEMBL17614548 0.88 SLC22A12 (0.42) MAPTSLC22A12POLBGRIN1GRIN2B
SCHEMBL17614557 0.87 GRIN1 (0.36) SLC22A12GRM5CHRNB1CHRNB2CHRNB4
SCHEMBL16205999 0.87 CHRNB2 (0.40) MAPTSLC22A12CHRNB1CHRNB2CHRNB4

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-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
WO-2014175465-A1 TETRAZOLINONE COMPOUND AND USE OF SAME 住友化学株式会社 (JP) 2014-10-30 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 MAPT 2738/4885SLC22A12 3344/4885GRM5 2162/4885

“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.