SCHEMBL17796263

SCHEMBL17796263

Cc1cccc([O])c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.44
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP8 P40818 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL102473 0.85 CYP1A2 (0.59) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
SCHEMBL28349620 0.82 CYP1A2 (0.57) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
Ethane SCHEMBL2154002 0.82 CYP1A2 (0.57) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
SCHEMBL3026903 0.76 CA1 (0.41) CYP1A2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL30485186 0.76 TSHR (0.62) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
SCHEMBL1003690 0.76 TSHR (0.62) CYP1A2CYP2C19TSHRCYP2A6ALDH1A1
SCHEMBL11993988 0.76 CYP1A2 (0.47) CYP1A2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL3859990 0.76 CYP1A2 (0.47) CYP1A2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL3860200 0.76 CYP1A2 (0.47) CYP1A2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL2154900 0.74 CYP1A2 (0.50) CYP1A2CYP2C19TSHRALDH1A1KDM4E

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
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 CYP1A2 30/4885CYP2C19 28/4885TSHR 51/4885

“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.