SCHEMBL17218342

SCHEMBL17218342

CC(C)C=NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RET P07949 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17216758 0.90 IDO1 (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL17218200 0.85 AGXT (0.50) TSHRCYP2C19AGXT
SCHEMBL7537685 0.84 NPC1 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL7537689 0.84 NPC1 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL17216686 0.83 TAAR1 (0.36) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL17218301 0.83 AGXT (0.44) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL17219621 0.81 IDO1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL17215939 0.81 L3MBTL1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20732769 0.81 L3MBTL1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17257538 0.81 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGAA

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 NPC1 1841/4885RAB9A 399/4885MEN1 1163/4885

“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.