SCHEMBL17217490

SCHEMBL17217490

CCCC=NOCc1ccc(CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 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
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
KMT2A Q03164 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
SCHEMBL17218415 0.89 SMN1; SMN2 (0.36) SMN1; SMN2GAANPC1RAB9ACYP2C9
SCHEMBL17218952 0.87 AGXT (0.42) SMN1; SMN2GAANPC1RAB9AL3MBTL1
SCHEMBL17218909 0.86 L3MBTL1 (0.43) SMN1; SMN2GAACYP2C9L3MBTL1KMT2A
SCHEMBL17219276 0.86 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C9L3MBTL1KMT2ARECQL
SCHEMBL5958248 0.85 NPC1 (0.42) SMN1; SMN2GAANPC1RAB9AKMT2A
SCHEMBL17218697 0.85 SMN1; SMN2 (0.39) SMN1; SMN2GAANPC1RAB9ACYP2C9
SCHEMBL17219366 0.84 CYP1A2 (0.46) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL17217877 0.83 SMN1; SMN2 (0.37) SMN1; SMN2GAANPC1RAB9AL3MBTL1
SCHEMBL17220264 0.83 IDO1 (0.44) SMN1; SMN2GAANPC1RAB9AKMT2A
SCHEMBL17218106 0.83 KDM1A (0.33) SMN1; SMN2GAATP53ALDH1A1POLB

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 4013/4885GAA 4457/4885NPC1 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.