SCHEMBL22729669

SCHEMBL22729669

Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(Oc4ccccc4)cn3)cn(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MET P08581 3/20 0.41
KDR P35968 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 3/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL22729744 0.88 RAB9A (0.48) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL22729593 0.86 PNLIP (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729493 0.79 GAA (0.52) NPC1RAB9AGAA
SCHEMBL22729480 0.79 TMPRSS4 (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729472 0.77 RAB9A (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729467 0.77 OTUD7B (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729438 0.75 GPR55 (0.55) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL29839318 0.75 RIOK2 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729770 0.75 RIOK2 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL22729691 0.73 SORT1 (0.44) NPC1RAB9ARXFP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC NPC1 52/4885RAB9A 239/4885KMT2A 405/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC NPC1 53/4885RAB9A 239/4885KMT2A 410/4885

“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.