SCHEMBL25253603

SCHEMBL25253603

CC(COc1ncc(Br)cc1Br)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
GABRA5 P31644 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 2/20 0.33
APP P05067 1/20 0.33
CNR2 P34972 1/20 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
SCHEMBL25298000 0.86 ACACB (0.39) SCN9AGABRA5MTNR1AMTNR1BLMNA
SCHEMBL25298001 0.86 ACACB (0.39) SCN9AGABRA5MTNR1AMTNR1BLMNA
SCHEMBL25295581 0.84 AAK1 (0.44) SCN9AGABRA5AAK1CNR2
SCHEMBL25295580 0.84 AAK1 (0.44) SCN9AGABRA5AAK1CNR2
SCHEMBL25300548 0.84 SCN9A (0.37) SCN9AGABRA5AAK1LMNASMN1; SMN2
SCHEMBL25252925 0.84 SCN9A (0.37) SCN9AGABRA5AAK1LMNASMN1; SMN2
SCHEMBL25811104 0.83 AAK1 (0.50) SCN9AAAK1
SCHEMBL25291590 0.81 MTNR1A (0.38) GABRA5MTNR1AMTNR1BLMNAHPGD
SCHEMBL25291591 0.81 MTNR1A (0.38) GABRA5MTNR1AMTNR1BLMNAHPGD
SCHEMBL25807350 0.78 SCN9A (0.43) SCN9AAAK1LMNASMN1; SMN2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 SCN9A 2882/4885GABRA5 1863/4885AAK1 293/4885

“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.