SCHEMBL22896950

SCHEMBL22896950

O=C(O)C(=O)[C@@H]1CCCN1c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
AADAT Q8N5Z0 8/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL20027984 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1199326 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11985482 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11985494 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6967758 0.87 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL27479846 0.78 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL9033462 0.77 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL9033466 0.77 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5674913 0.76 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5674922 0.76 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885RAB9A 2461/4885SMN1; SMN2 200/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 NPC1 1945/4885RAB9A 2055/4885SMN1; SMN2 263/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885RAB9A 2461/4885SMN1; SMN2 200/4885

“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.