SCHEMBL17216409

SCHEMBL17216409

CCC=NOCc1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ABCB1 P08183 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL17219635 0.87 IDO1 (0.49) IDO1MEN1KMT2ATAAR1ABCB1
SCHEMBL17218648 0.84 IDO1 (0.46) IDO1MEN1KMT2ATAAR1ABCB1
SCHEMBL17216489 0.81 GRIN2B (0.43) KMT2AGRIN1GRIN2B
SCHEMBL17217657 0.80 IDO1 (0.51) IDO1MEN1KMT2ATAAR1ABCB1
SCHEMBL17218771 0.79 TAAR1 (0.41) KMT2ATAAR1LMNAACHEALDH1A1
SCHEMBL17218548 0.79 IDO1 (0.50) IDO1MEN1KMT2ATAAR1ABCB1
SCHEMBL17217100 0.78 IDO1 (0.47) IDO1MEN1KMT2ATAAR1LMNA
SCHEMBL17217777 0.78 KMT2A (0.56) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17986289 0.77 IDO1 (0.60) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17986220 0.76 IDO1 (0.55) IDO1MEN1KMT2ATAAR1ABCB1

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 2882/4885MEN1 1163/4885KMT2A 2914/4885

“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.