SCHEMBL17216758

SCHEMBL17216758

CC(C)C=NOCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
S1PR1 P21453 1/20 0.37
NAAA Q02083 1/20 0.37
GSTP1 P09211 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17218342 0.90 NPC1 (0.43) IDO1AGXTNPC1RAB9AGAA
SCHEMBL17218200 0.86 AGXT (0.50) AGXTNAAA
SCHEMBL17216686 0.81 TAAR1 (0.36) IDO1NPC1RAB9AGAASMN1; SMN2
SCHEMBL17218301 0.81 AGXT (0.44) IDO1AGXTNPC1RAB9AGAA
SCHEMBL20732769 0.79 L3MBTL1 (0.49) IDO1AGXTNPC1RAB9ASMN1; SMN2
SCHEMBL17215939 0.79 L3MBTL1 (0.49) IDO1AGXTNPC1RAB9ASMN1; SMN2
SCHEMBL17219621 0.79 IDO1 (0.42) IDO1AGXTSMN1; SMN2ALDH1A1TAAR1
SCHEMBL17215777 0.78 IDO1 (0.47) IDO1AGXTNPC1RAB9AGAA
SCHEMBL17219559 0.78 IDO1 (0.47) IDO1AGXTNPC1RAB9AGAA
SCHEMBL17216724 0.78 IDO1 (0.47) IDO1AGXTSMN1; SMN2ALDH1A1TAAR1

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 IDO1 2882/4885AGXT 1423/4885NPC1 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.