SCHEMBL4155889

SCHEMBL4155889

CC(C)(C)c1cccc(-c2csc(NC3CCNCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
BAZ2A Q9UIF9 1/20 0.43
CCR4 P51679 1/20 0.41
CFTR P13569 1/20 0.40
TYR P14679 1/20 0.40
AURKA O14965 1/20 0.39
PIM1 P11309 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
ABL1 P00519 2/20 0.39
CXCR3 P49682 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NPY5R Q15761 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL14349548 0.86 RAB9A (0.54) NPC1RAB9ABAZ2ATYRMEN1
SCHEMBL7531332 0.75 NPC1 (0.56) NPC1RAB9ABAZ2ATYRMEN1
SCHEMBL2556748 0.73 NPC1 (0.58) NPC1RAB9ACFTRMEN1POLB
SCHEMBL8118408 0.73 KDM4E (0.59) NPC1RAB9AMAOAMAOB
SCHEMBL18466529 0.73 IDH2 (0.45) KIF11BRD4
SCHEMBL27885120 0.73 NPC1 (0.42) NPC1RAB9ABAZ2ATYRMEN1
Hydrochloric Acid SCHEMBL8824042 0.72 KDM4E (0.58) NPC1RAB9AMAOAMAOB
SCHEMBL27575993 0.71 ITGB3 (0.54) NPC1RAB9ABAZ2AMEN1POLB
SCHEMBL2559123 0.71 KDM4E (0.60) NPC1RAB9ATYRMEN1POLB
SCHEMBL13216767 0.71 RECQL (0.62) NPC1RAB9APOLBKIF11

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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 NPC1 138/4885RAB9A 1957/4885BAZ2A 738/4885

“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.