SCHEMBL17217487

SCHEMBL17217487

CCC/[C]=N/OCc1ccc(CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PLAU P00749 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL17217489 1.00 CYP2A6 (0.35) CYP2A6RXRARXRBPLAUTAAR1
SCHEMBL17218409 0.89 CYP2A6 (0.33) CYP2A6RXRARXRBPLAUTAAR1
SCHEMBL17218413 0.89 CYP2A6 (0.33) CYP2A6RXRARXRBPLAUTAAR1
SCHEMBL17218946 0.87 AGXT (0.42) CYP2A6TAAR1POLBGAAMAPT
SCHEMBL17218949 0.87 AGXT (0.42) CYP2A6TAAR1POLBGAAMAPT
SCHEMBL17219273 0.86 IDO1 (0.41) ALDH1A1TDP1MEN1POLBGAA
SCHEMBL17219275 0.86 IDO1 (0.41) ALDH1A1TDP1MEN1POLBGAA
SCHEMBL17219364 0.86 IDO1 (0.47) TAAR1POLB
SCHEMBL17219363 0.86 IDO1 (0.47) TAAR1POLB
SCHEMBL17218903 0.86 IDO1 (0.41) MEN1POLBKMT2AL3MBTL1

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 CYP2A6 471/4885RXRA 1373/4885RXRB 1771/4885

“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.