SCHEMBL4833281

SCHEMBL4833281

CCc1nc(COc2ccc(N)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 4/20 0.51
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 4/20 0.40
HSP90AA1 P07900 1/20 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
SCHEMBL3997492 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4826411 0.79 LMNA (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4829173 0.76 HDAC1 (0.44) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4825659 0.75 HDAC1 (0.56) SLC6A3MAOBMAOA
SCHEMBL4389387 0.73 MAPT (0.56) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL10744688 0.73 SLC6A3 (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL6796683 0.72 NPC1 (0.77) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL13201441 0.72 SLC6A3 (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5780126 0.72 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL8274634 0.72 NPC1 (0.44) RAB9ANPC1SMN1; 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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885NPC1 1170/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885NPC1 1170/4885SMN1; SMN2 75/4885

“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.