SCHEMBL17216361

SCHEMBL17216361

Cc1cccc(/[C]=N\OCc2cccc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ IDO1 P14902 4/20 0.44
▸ AGXT P21549 2/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MAOB P27338 8/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MIF P14174 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
SCHEMBL17216365 1.00 SMN1; SMN2 (0.46) SMN1; SMN2IDO1AGXTACHEMAOB
SCHEMBL17218734 0.94 IDO1 (0.44) SMN1; SMN2IDO1AGXTACHEMAOB
SCHEMBL17218731 0.94 IDO1 (0.44) SMN1; SMN2IDO1AGXTACHEMAOB
SCHEMBL17216641 0.90 ACHE (0.37) SMN1; SMN2IDO1AGXTACHEP2RX7
SCHEMBL17216643 0.90 ACHE (0.37) SMN1; SMN2IDO1AGXTACHEP2RX7
SCHEMBL17216976 0.90 IDO1 (0.50) IDO1MAOBTAAR1
SCHEMBL17217930 0.90 IDO1 (0.50) SMN1; SMN2IDO1AGXTMAOBTAAR1
SCHEMBL17216975 0.90 IDO1 (0.50) IDO1MAOBTAAR1
SCHEMBL17217929 0.90 IDO1 (0.50) SMN1; SMN2IDO1AGXTMAOBTAAR1
SCHEMBL17216656 0.87 MAOB (0.39) SMN1; SMN2IDO1AGXTACHEMAOB

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 SMN1; SMN2 4013/4885IDO1 2882/4885AGXT 1423/4885

“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.

Send feedback