SCHEMBL4908136

SCHEMBL4908136

c1ccc2oc(CN3CCNCC3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.67
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47

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
SCHEMBL1514939 1.00 SOS1 (0.67) SOS1NPC1MAPTRAB9ALMNA
Trifluoroacetic Acid SCHEMBL30040872 0.88 SOS1 (0.54) SOS1NPC1MAPTRAB9ASIGMAR1
SCHEMBL5633385 0.83 NPC1 (0.54) SOS1NPC1MAPTRAB9ALMNA
SCHEMBL23932531 0.81 SOS1 (0.62) SOS1LMNATP53SIGMAR1
SCHEMBL4908138 0.80 NPC1 (0.47) SOS1NPC1MAPTRAB9ALMNA
SCHEMBL14432506 0.78 SOS1 (0.58) SOS1LMNADRD3DRD2
SCHEMBL9933061 0.77 NPC1 (0.44) SOS1NPC1MAPTRAB9ALMNA
SCHEMBL23964195 0.76 DRD3 (0.60) NPC1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL10566155 0.75 DRD3 (0.60) NPC1MAPTRAB9ASMN1; SMN2DRD3
SCHEMBL23964197 0.75 DRD3 (0.47) SOS1NPC1MAPTRAB9ALMNA

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 SOS1 434/4885NPC1 2193/4885MAPT 1389/4885

“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.