SCHEMBL24156338

SCHEMBL24156338

c1ccc(Oc2ncc(-c3ccc4cccnc4c3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP3A4 P08684 1/20 0.47
▸ RIPK1 Q13546 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGDS O60760 4/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ CYP17A1 P05093 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
SCHEMBL24155661 0.89 NPC1 (0.60) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL24156361 0.84 MEN1 (0.58) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL24155896 0.78 MEN1 (0.55) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL19506133 0.78 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12075052 0.78 NPC1 (0.59) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL6005419 0.78 NPC1 (0.59) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL29485612 0.78 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3726615 0.78 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24155533 0.77 MEN1 (0.54) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8210191 0.77 CYP3A4 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 — — 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-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B NPC1 1298/4885RAB9A 2321/4885MEN1 450/4885

“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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