SCHEMBL17986352

SCHEMBL17986352

[CH]=NOCc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.62
AGXT P21549 2/20 0.62
MAOB P27338 7/20 0.54
TAAR1 Q96RJ0 3/20 0.53
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
CMA1 P23946 1/20 0.49
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL27916338 0.84 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL14748298 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3265545 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1ABCB1
SCHEMBL17986299 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17986298 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3768643 0.80 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31264 0.80 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17218391 0.78 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL9944308 0.78 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17219069 0.78 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US 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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 IDO1 1822/4885AGXT 335/4885MAOB 2207/4885

“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.