SCHEMBL17217551

SCHEMBL17217551

C=Cc1ccc(CON=CC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HDAC8 Q9BY41 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1405998 0.82 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17219184 0.81 TP53 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17217798 0.80 AGXT (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL9944294 0.80 AGXT (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217258 0.80 SMN1; SMN2 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17216230 0.79 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17218954 0.79 L3MBTL1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17216913 0.79 IDO1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL17217699 0.78 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL9944275 0.78 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2GAA

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 ALDH1A1 2300/4885NPC1 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.