SCHEMBL3508802

SCHEMBL3508802

CONC(=O)c1cccc(C(=O)N(C)Cc2nc(C)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GCK P35557 9/20 0.41
GRM5 P41594 1/20 0.41
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 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
SCHEMBL2711315 0.90 NPC1 (0.47) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3508786 0.88 NPC1 (0.47) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL162235 0.88 NPC1 (0.52) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3647874 0.87 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3508549 0.87 LMNA (0.47) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3646471 0.87 NPC1 (0.46) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3645339 0.86 RAB9A (0.46) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL3351202 0.85 NPC1 (0.48) RAB9ANPC1MEN1KMT2AGCK
SCHEMBL168243 0.84 MEN1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3690562 0.81 NPC1 (0.41) RAB9ANPC1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP RAB9A 3199/4885NPC1 204/4885HPGD 1682/4885

“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.