SCHEMBL23965745

SCHEMBL23965745

C[C@H]1CCN(c2nc3ccc(N)cc3s2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPT P10636 6/20 0.60
GAA P10253 1/20 0.60
TP53 P04637 3/20 0.56
MITF O75030 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MGLL Q99685 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1109089 0.84 RAB9A (0.64) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL21638195 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL13054079 0.84 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL3748783 0.84 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL21638197 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL21638205 0.84 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL21638268 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL21588478 0.82 NPC1 (0.72) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL31349420 0.81 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL23965801 0.81 RAB9A (0.56) SMN1; SMN2NPC1RAB9AMAPTTP53

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 SMN1; SMN2 4557/4885NPC1 1739/4885RAB9A 2878/4885

“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.