SCHEMBL17217258

SCHEMBL17217258

CCc1ccc(CON=CC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL17217798 0.85 AGXT (0.45) SMN1; SMN2NPC1RAB9AGAAL3MBTL1
SCHEMBL9944294 0.85 AGXT (0.45) SMN1; SMN2NPC1RAB9AGAAL3MBTL1
SCHEMBL17218954 0.83 L3MBTL1 (0.50) SMN1; SMN2NPC1RAB9AGAACYP2C9
SCHEMBL17216913 0.83 IDO1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2ATP53
SCHEMBL17217699 0.82 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAL3MBTL1
SCHEMBL9944275 0.82 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAL3MBTL1
SCHEMBL17217193 0.82 KIF11 (0.36) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL17216444 0.81 IDO1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17217913 0.81 EPHX2 (0.42) ALDH1A1LMNA
SCHEMBL17217363 0.80 IDO1 (0.50) SMN1; SMN2KMT2ATAAR1

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 SMN1; SMN2 4013/4885NPC1 1841/4885RAB9A 399/4885

“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.