SCHEMBL17217755

SCHEMBL17217755

CCC=NOCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
GRIN2B Q13224 1/20 0.39
SLC6A4 P31645 3/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
PDE2A O00408 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A3 Q01959 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL17216306 0.88 TSHR (0.41) TSHRALDH1A1CARM1PRMT6GRIN2B
SCHEMBL17219014 0.85 HDAC3 (0.41) TSHRALDH1A1CARM1PRMT6GRIN2B
SCHEMBL17217913 0.83 EPHX2 (0.42) TSHRALDH1A1CARM1PRMT6GRIN2B
SCHEMBL17219295 0.82 CHRM2 (0.46) CARM1PRMT6GRIN2BSLC6A4
SCHEMBL17218697 0.81 SMN1; SMN2 (0.39) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL17218435 0.81 IDO1 (0.49) ALDH1A1CARM1PRMT6
SCHEMBL20346842 0.80 IDO1 (0.48) TSHRALDH1A1
SCHEMBL17216828 0.80 IDO1 (0.48) TSHRALDH1A1
SCHEMBL17219762 0.80 PDE2A (0.40) TSHRALDH1A1CARM1PRMT6GRIN2B
SCHEMBL17216170 0.78 IDO1 (0.44) ALDH1A1LMNAL3MBTL1

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.