SCHEMBL6561710

SCHEMBL6561710

Cn1c(CCN)nc2cc(CCN)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.50
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
RECQL P46063 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
PDE10A Q9Y233 2/20 0.39
PKM P14618 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
SCHEMBL14736501 0.84 MAPT (0.50) NPC1RAB9ASMN1; SMN2GAAMAPT
Hydrochloric Acid SCHEMBL14736580 0.83 KDM4E (0.50) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL14736424 0.83 MAPT (0.49) NPC1RAB9ASMN1; SMN2GAAMAPT
Hydrochloric Acid SCHEMBL14736908 0.81 MAPT (0.48) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL855166 0.78 MAPT (0.77) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL15166271 0.77 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL14736626 0.77 MAPT (0.74) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL15166150 0.75 HDAC6 (0.68) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL16152949 0.75 RAB9A (0.42) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL19936572 0.74 DPP4 (0.43) NPC1RAB9ASMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 WO 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 NPC1 1823/4885RAB9A 1705/4885SMN1; SMN2 208/4885

“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.