SCHEMBL3766623

SCHEMBL3766623

Nn1c(COc2ccccc2)nc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 8/20 0.82
SMN1; SMN2 Q16637 7/20 0.82
GAA P10253 2/20 0.82
MAPT P10636 6/20 0.77
KMT2A Q03164 3/20 0.77
GLA P06280 1/20 0.77
USP2 O75604 2/20 0.70
KDM4E B2RXH2 4/20 0.59
TSHR P16473 3/20 0.59
ALOX15 P16050 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ATM Q13315 1/20 0.57
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL27943648 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL27953824 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL5928915 0.84 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL5928772 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL3714715 0.78 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL14743414 0.77 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL28308020 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL28308019 0.76 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL28677827 0.75 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL3709037 0.75 NPC1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 NPC1 377/4885RAB9A 1488/4885SMN1; SMN2 1516/4885

“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.