SCHEMBL22925698

SCHEMBL22925698

O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.36
NTRK1 P04629 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
GCGR P47871 5/20 0.33

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
SCHEMBL24636898 1.00 SCN9A (0.36) SCN9ANTRK1KMT2AHIF1AEPAS1
SCHEMBL29620956 1.00 SCN9A (0.36) SCN9ANTRK1KMT2AHIF1AEPAS1
SCHEMBL22925675 0.89 TRPV1 (0.40) HIF1AEPAS1GCGR
SCHEMBL22925988 0.89 TRPV1 (0.40) HIF1AEPAS1GCGR
SCHEMBL29620976 0.89 TRPV1 (0.40) HIF1AEPAS1GCGR
SCHEMBL29620979 0.89 TRPV1 (0.40) HIF1AEPAS1GCGR
SCHEMBL22925985 0.89 TRPV1 (0.40) HIF1AEPAS1GCGR
SCHEMBL22925767 0.87 MAOB (0.39) NTRK1
Hydrochloric Acid SCHEMBL29620914 0.86 MAOB (0.38) NTRK1
Hydrochloric Acid SCHEMBL28733689 0.86 MAOB (0.38) NTRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB SCN9A 4045/4885NTRK1 4716/4885KMT2A 3735/4885

“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.