SCHEMBL17986337

SCHEMBL17986337

C[C]=NOCc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.48
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAOB P27338 3/20 0.37
NAAA Q02083 2/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL17986336 1.00 AGXT (0.48) AGXTCA1CA2CA9POLB
SCHEMBL17216967 0.84 AGXT (0.45) AGXTCA1CA2CA9POLB
SCHEMBL17216964 0.84 AGXT (0.45) AGXTCA1CA2CA9POLB
SCHEMBL17986253 0.82 IDO1 (0.47) AGXTMAPTL3MBTL1IDO1NPC1
SCHEMBL17986270 0.82 IDO1 (0.53) AGXTCA1CA2CA9IDO1
SCHEMBL17986276 0.82 IDO1 (0.47) AGXTL3MBTL1IDO1MAOBTAAR1
SCHEMBL17986271 0.82 IDO1 (0.53) AGXTCA1CA2CA9IDO1
SCHEMBL17986275 0.82 IDO1 (0.47) AGXTL3MBTL1IDO1MAOBTAAR1
SCHEMBL17986252 0.82 IDO1 (0.47) AGXTMAPTL3MBTL1IDO1NPC1
SCHEMBL134047 0.81 TSHR (0.46) AGXTGAAMAPTL3MBTL1IDO1

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 AGXT 335/4885CA1 1430/4885CA2 2027/4885

“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.