SCHEMBL17216010

SCHEMBL17216010

CC(C)C=NOCc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
F2 P00734 1/20 0.39
TACR1 P25103 2/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ALOX5 P09917 1/20 0.36
AR P10275 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL17218488 0.81 IDO1 (0.53) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL17218841 0.80 IDO1 (0.51) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL17217936 0.80 IDO1 (0.46) IDO1MAOB
SCHEMBL2588627 0.80 IDO1 (0.54) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL2588626 0.80 IDO1 (0.54) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL17217621 0.79 GRIN2B (0.42) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL17986303 0.78 IDO1 (0.66) IDO1MAOBMAOASLC6A4TACR1
SCHEMBL17216510 0.78 IDO1 (0.49) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL17218729 0.78 TAAR1 (0.40) MAOBSLC6A2SLC6A4TACR1SLC6A3
SCHEMBL17216007 0.77 IDO1 (0.51) IDO1MAOBMAOASLC6A2SLC6A4

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 2882/4885MAOB 3611/4885MAOA 3360/4885

“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.