SCHEMBL17216686

SCHEMBL17216686

CCc1ccc(CON=CC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL17218301 0.85 AGXT (0.44) TAAR1SMN1; SMN2NPC1GAARAB9A
SCHEMBL17219621 0.84 IDO1 (0.42) TAAR1SMN1; SMN2L3MBTL1CYP2C9ALDH1A1
SCHEMBL20732769 0.84 L3MBTL1 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C9
SCHEMBL17215939 0.84 L3MBTL1 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1CYP2C9
SCHEMBL17218342 0.83 NPC1 (0.43) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL17216258 0.83 PTGS2 (0.33) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL17216724 0.82 IDO1 (0.47) TAAR1SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL17219416 0.81 IDO1 (0.37) SMN1; SMN2NPC1GAARAB9AL3MBTL1
SCHEMBL17215866 0.81 ALDH1A1 (0.37) SMN1; SMN2NPC1GAARAB9AL3MBTL1
SCHEMBL17216758 0.81 IDO1 (0.46) TAAR1SMN1; SMN2NPC1GAARAB9A

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-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 TAAR1 21/4885SMN1; SMN2 4013/4885NPC1 1841/4885

“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.