SCHEMBL17218952

SCHEMBL17218952

CCCC=NOCc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 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
SCHEMBL17219113 0.90 AGXT (0.40) AGXTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL17217490 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AGAATDP1
SCHEMBL15866003 0.85 AGXT (0.45) AGXTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL17216969 0.85 AGXT (0.45) AGXTSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL17219276 0.84 SMN1; SMN2 (0.55) AGXTSMN1; SMN2KDM4ETDP1RECQL
SCHEMBL17218909 0.84 L3MBTL1 (0.43) AGXTSMN1; SMN2GAAKDM4ETDP1
SCHEMBL5958248 0.84 NPC1 (0.42) AGXTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL17219366 0.83 CYP1A2 (0.46) AGXTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL17217877 0.81 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ACA1CA2
SCHEMBL17220264 0.81 IDO1 (0.44) AGXTSMN1; SMN2NPC1RAB9AGAA

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 AGXT 1423/4885SMN1; 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.