SCHEMBL17219014

SCHEMBL17219014

CCCCC=NOCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TSHR P16473 1/20 0.40
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GRIN2B Q13224 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
SLC6A4 P31645 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PDE2A O00408 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17216306 0.92 TSHR (0.41) HDAC3HDAC1HDAC2TSHRCARM1
SCHEMBL17217755 0.85 TSHR (0.43) HDAC3HDAC1HDAC2TSHRCARM1
SCHEMBL17216586 0.84 CHRM2 (0.43) CARM1PRMT6GRIN2BSLC6A4
SCHEMBL17218415 0.84 SMN1; SMN2 (0.36) HDAC3HDAC1HDAC2ALDH1A1SLC6A4
SCHEMBL17216495 0.83 IDO1 (0.44) KMT2AKDM4E
SCHEMBL17218426 0.82 CYP1A2 (0.44) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL17219274 0.81 L3MBTL1 (0.41) TDP1L3MBTL1ESR1
SCHEMBL17219113 0.79 AGXT (0.40) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL17217913 0.78 EPHX2 (0.42) TSHRCARM1PRMT6ALDH1A1GRIN2B
SCHEMBL17215837 0.78 SMN1; SMN2 (0.49) ALDH1A1MEN1MAPTKMT2ATDP1

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 HDAC3 82/4885HDAC1 224/4885HDAC2 644/4885

“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.