SCHEMBL17215827

SCHEMBL17215827

COc1cccc(CON=[C]c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.51
▸ AGXT P21549 2/20 0.51
▸ MAOB P27338 5/20 0.50
▸ SIGMAR1 Q99720 1/20 0.46
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ TAAR1 Q96RJ0 3/20 0.44
▸ BCHE P06276 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17215826 1.00 IDO1 (0.51) IDO1AGXTMAOBSIGMAR1CHRM2
SCHEMBL17217437 0.93 MAOB (0.54) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17219080 0.93 IDO1 (0.53) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17217434 0.93 MAOB (0.54) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17219078 0.93 IDO1 (0.53) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17217352 0.91 MAOB (0.54) IDO1AGXTMAOBSIGMAR1CHRM2
SCHEMBL17217355 0.91 MAOB (0.54) IDO1AGXTMAOBSIGMAR1CHRM2
SCHEMBL17217550 0.89 MAOB (0.49) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17217547 0.89 MAOB (0.49) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL17218712 0.88 MAOB (0.44) IDO1AGXTMAOBSIGMAR1HTR1A

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 6 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-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 — — US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 — — 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 (2 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
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 IDO1 2882/4885AGXT 1423/4885MAOB 3611/4885

“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.

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