SCHEMBL17217651

SCHEMBL17217651

COc1ccccc1CO/N=[C]\C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
TAAR1 Q96RJ0 1/20 0.42
ABCB1 P08183 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
AOC3 Q16853 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL17217654 1.00 IDO1 (0.50) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17217995 0.83 GRIN2B (0.38) IDO1GRIN1
SCHEMBL17217992 0.83 GRIN2B (0.38) IDO1GRIN1
SCHEMBL17986220 0.81 IDO1 (0.55) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17986219 0.81 IDO1 (0.55) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17217143 0.80 MAOB (0.36) TAAR1CHRM2MAPTHTR1AADRA1D
SCHEMBL17217140 0.80 MAOB (0.36) TAAR1CHRM2MAPTHTR1AADRA1D
SCHEMBL17218544 0.79 IDO1 (0.51) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17218546 0.79 IDO1 (0.51) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL17215797 0.79 IDO1 (0.46) IDO1TAAR1MAPTL3MBTL1

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 2882/4885TAAR1 21/4885ABCB1 3652/4885

“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.