SCHEMBL22472777

SCHEMBL22472777

CCCCCOc1ccc(CCNC(=O)c2ncn3c(C)ccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 3/20 0.42
ACACB O00763 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL25581687 0.90 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HTTCYP19A1S1PR1
SCHEMBL25581322 0.87 NPC1 (0.47) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL22472801 0.80 NPC1 (0.48) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL22472773 0.79 CA12 (0.41) RAB9ASMN1; SMN2TP53TAS1R3TAS1R1
SCHEMBL22472774 0.77 ALDH1A1 (0.42) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL22472750 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53S1PR1S1PR3
SCHEMBL22472759 0.75 CA12 (0.40) NPC1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL17935564 0.72 NPC1 (0.68) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17730355 0.70 MAPT (0.52) NPC1SMN1; SMN2MAPTHTTTP53
SCHEMBL22472799 0.69 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
US-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-09-29 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-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA NPC1 823/4885KMT2A 469/4885MEN1 3015/4885

“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.