SCHEMBL17217275

SCHEMBL17217275

[C](=N\OCc1ccc(-c2ccccc2)cc1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.48
▸ AGXT P21549 2/20 0.48
▸ NAAA Q02083 7/20 0.42
▸ GSTP1 P09211 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABCC4 O15439 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ S1PR1 P21453 1/20 0.36

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
SCHEMBL17217277 1.00 IDO1 (0.48) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17216786 0.89 CYP1A2 (0.46) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17218910 0.89 ALDH1A1 (0.46) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17215728 0.89 IDO1 (0.42) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17218913 0.89 ALDH1A1 (0.46) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17218190 0.89 NPC1 (0.55) IDO1AGXTNAAANPC1RAB9A
SCHEMBL17218842 0.89 AGXT (0.42) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17218844 0.89 AGXT (0.42) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17215731 0.89 IDO1 (0.42) IDO1AGXTNAAAGSTP1NPC1
SCHEMBL17217967 0.89 AGXT (0.42) IDO1AGXTNAAAGSTP1NPC1

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 2882/4885AGXT 1423/4885NAAA 3413/4885

“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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