SCHEMBL31044802

SCHEMBL31044802

CCc1nc(NCCc2ccc(-c3ccccc3)cc2)c2cc(C)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PDE5A O76074 1/20 0.42
TRIM58 Q8NG06 1/20 0.41
GBA1 P04062 1/20 0.41
APP P05067 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40

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
SCHEMBL31044704 0.94 TRIM58 (0.40) NPC1GALR3NR2F2RAB9AJAK2
SCHEMBL20667996 0.93 APP (0.46) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31045004 0.87 NPC1 (0.45) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31044754 0.86 RAB9A (0.44) NPC1GALR3NR2F2RAB9A
SCHEMBL31044989 0.86 NR2F2 (0.44) NPC1GALR3NR2F2RAB9AJAK2
SCHEMBL20667986 0.86 TLR8 (0.41) GBA1APPBCHEACHE
SCHEMBL31044731 0.85 TLR8 (0.43) GBA1APPBCHEACHE
SCHEMBL31045132 0.85 MAPK14 (0.40) NPC1GALR3NR2F2RAB9ATRIM58
SCHEMBL31044935 0.85 PRKCI (0.44) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL5432174 0.84 RAB9A (0.50) NPC1GALR3NR2F2RAB9A

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 NPC1 626/4885GALR3 4159/4885NR2F2 4087/4885

“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.