SCHEMBL23965737

SCHEMBL23965737

CO[C@H]1CN(c2nc3ccc(N)cc3s2)C[C@H]1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 3/20 0.58
CRBN Q96SW2 1/20 0.45
KEAP1 Q14145 1/20 0.44
HCRTR2 O43614 4/20 0.43
HCRTR1 O43613 3/20 0.43
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL21638165 1.00 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638193 0.89 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638268 0.82 SMN1; SMN2 (0.56) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638197 0.82 SMN1; SMN2 (0.56) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638195 0.82 SMN1; SMN2 (0.56) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638217 0.82 SMN1; SMN2 (0.62) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL31349457 0.81 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638253 0.81 NPC1 (0.54) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638295 0.81 MAPT (0.54) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21638258 0.80 SMN1; SMN2 (0.51) NPC1RAB9AMAPTSMN1; SMN2GAA

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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB NPC1 1739/4885RAB9A 2878/4885MAPT 2580/4885

“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.