SCHEMBL4908138

SCHEMBL4908138

[CH]1CNCCN1Cc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SOS1 Q07889 1/20 0.45
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
DRD3 P35462 5/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD1 P21728 1/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL4908136 0.80 SOS1 (0.67) NPC1MAPTRAB9ASOS1TP53
SCHEMBL1514939 0.80 SOS1 (0.67) NPC1MAPTRAB9ASOS1TP53
SCHEMBL9933061 0.73 NPC1 (0.44) NPC1MAPTRAB9ASOS1TP53
Trifluoroacetic Acid SCHEMBL30040872 0.70 SOS1 (0.54) NPC1MAPTRAB9ASOS1DRD3
SCHEMBL5633385 0.70 NPC1 (0.54) NPC1MAPTRAB9ASOS1TP53
SCHEMBL276364 0.70 SIGMAR1 (0.56) DRD4MEN1KMT2A
SCHEMBL2125044 0.67 MAPT (0.70) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL4903098 0.67 ALDH1A1 (0.46) LMNAMEN1KMT2A
SCHEMBL155002 0.67 MAPT (1.00) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL1420033 0.67 TP53 (0.81) NPC1MAPTRAB9ATP53SMN1; SMN2

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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP NPC1 2193/4885MAPT 1389/4885RAB9A 1011/4885

“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.