SCHEMBL17216306

SCHEMBL17216306

CCCC=NOCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GRIN2B Q13224 1/20 0.37
SLC6A4 P31645 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PDE2A O00408 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL17219014 0.92 HDAC3 (0.41) TSHRALDH1A1CARM1PRMT6HDAC3
SCHEMBL17217755 0.88 TSHR (0.43) TSHRALDH1A1CARM1PRMT6HDAC3
SCHEMBL17218068 0.83 CHRM2 (0.44) CARM1PRMT6GRIN2BSLC6A4
SCHEMBL17217490 0.82 SMN1; SMN2 (0.40) ALDH1A1HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL17219671 0.82 IDO1 (0.46) CARM1PRMT6SMN1; SMN2
SCHEMBL17219366 0.81 CYP1A2 (0.46) TSHRALDH1A1SMN1; SMN2
SCHEMBL17217913 0.80 EPHX2 (0.42) TSHRALDH1A1CARM1PRMT6GRIN2B
SCHEMBL17218909 0.80 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2LMNA
SCHEMBL17218952 0.78 AGXT (0.42) SMN1; SMN2
SCHEMBL17219762 0.78 PDE2A (0.40) TSHRALDH1A1CARM1PRMT6GRIN2B

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 TSHR 19/4885ALDH1A1 2300/4885CARM1 596/4885

“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.