SCHEMBL16295458

SCHEMBL16295458

CN(C(=O)Cl)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.49
▸ POLQ O75417 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PYGL P06737 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ APP P05067 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL3576501 0.83 NOTUM (0.51) NOTUMTRPV1POLQHTTGAA
SCHEMBL965251 0.83 NOTUM (0.51) NOTUMTRPV1POLQHTTGAA
SCHEMBL1577273 0.81 NOTUM (0.50) NOTUMTRPV1POLQHTTGAA
Hydrochloric Acid SCHEMBL5349528 0.81 NOTUM (0.50) NOTUMTRPV1POLQHTTGAA
SCHEMBL427122 0.81 NOTUM (0.50) NOTUMTRPV1POLQHTTGAA
SCHEMBL9016336 0.81 NOTUM (0.50) NOTUMTRPV1POLQHTTGAA
SCHEMBL2485281 0.81 NOTUM (0.47) NOTUMTRPV1POLQHTTGAA
SCHEMBL7112425 0.80 KCNA5 (0.47) NOTUMHTTGAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL17785084 0.80 NOTUM (0.49) NOTUMTRPV1POLQHTTGAA
SCHEMBL8870719 0.80 GAA (0.48) NOTUMTRPV1POLQHTTGAA

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-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 — — EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 — — US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 — — WO 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 NOTUM 3450/4885TRPV1 512/4885POLQ 4345/4885

“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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