SCHEMBL17796258

SCHEMBL17796258

Cc1ccc([O])cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.36
ALOX15 P16050 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B2 P19099 1/20 0.35
VNN1 O95497 1/20 0.34
FFAR1 O14842 1/20 0.33
HPGD P15428 3/20 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
SCHEMBL17796254 0.82 TSHR (0.48) TSHRALDH1A1KDM4EUSP2CYP11B2
SCHEMBL3026622 0.78 MAOB (0.42) ALDH1A1KDM4EUSP2USP8USP7
SCHEMBL101714 0.76 TSHR (0.52) TSHRALDH1A1ALOX15HSD17B10TDP1
SCHEMBL30509593 0.76 TSHR (0.52) TSHRALDH1A1ALOX15HSD17B10TDP1
SCHEMBL1003188 0.74 TSHR (0.50) TSHRALDH1A1CYP11B2FFAR1AR
SCHEMBL4466578 0.73 TRPV4 (0.43) CYP11B2VNN1AR
SCHEMBL3376010 0.73 TSHR (0.48) TSHRALDH1A1KDM4EALOX15CASP1
SCHEMBL10188102 0.73 TSHR (0.48) TSHRALDH1A1KDM4EALOX15CASP1
SCHEMBL22861605 0.73 TRPV4 (0.52) TSHRALDH1A1KDM4EALOX15CASP1
SCHEMBL290322 0.73 TSHR (0.48) TSHRALDH1A1L3MBTL1NPSR1LMNA

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 51/4885ALDH1A1 1480/4885KDM4E 3200/4885

“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.