SCHEMBL17796254

SCHEMBL17796254

Cc1cc([O])ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
S1PR3 Q99500 1/20 0.39
AR P10275 6/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
S1PR1 P21453 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL17796258 0.82 TSHR (0.48) TSHRARCYP11B2ALDH1A1KDM4E
SCHEMBL3026622 0.78 MAOB (0.42) ALDH1A1KDM4EUSP2TRPV4
SCHEMBL277588 0.76 TSHR (0.52) TSHRAREGLN2ALDH1A1
SCHEMBL13001686 0.76 TSHR (0.52) TSHRAREGLN2CYP11B2CYP11B1
SCHEMBL30361887 0.76 TSHR (0.52) TSHRAREGLN2ALDH1A1
SCHEMBL12317792 0.74 TSHR (0.50) TSHRS1PR3ARMRGPRX4EGLN2
SCHEMBL393190 0.74 TSHR (0.50) TSHRS1PR3AREGLN2CYP11B2
SCHEMBL518867 0.73 TRPV4 (0.57) S1PR3ARCYP11B2TRPV4
SCHEMBL21698055 0.73 TSHR (0.48) TSHRS1PR3ARMRGPRX4EGLN2
SCHEMBL290236 0.73 TSHR (0.48) TSHRS1PR3EGLN2S1PR1

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 TSHR 51/4885S1PR3 2597/4885AR 988/4885

“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.