SCHEMBL27090751

SCHEMBL27090751

O=[N+]([O-])c1cccc(-n2cc(-c3cnc4cccc(Br)c4n3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KEAP1 Q14145 7/20 0.44
NFE2L2 Q16236 7/20 0.44
HSP90AA1 P07900 1/20 0.43
FGFR1 P11362 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NQO2 P16083 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL29589926 1.00 NPC1 (0.48) NPC1RAB9ABCHEACHEKEAP1
SCHEMBL5215644 0.86 NPC1 (0.66) NPC1RAB9ABCHEACHEKEAP1
SCHEMBL27091299 0.82 NPC1 (0.43) NPC1RAB9A
SCHEMBL29589510 0.82 NPC1 (0.43) NPC1RAB9A
SCHEMBL30616938 0.77 HSP90AA1 (0.49) NPC1RAB9AKEAP1NFE2L2HSP90AA1
SCHEMBL29077753 0.77 HSP90AA1 (0.49) NPC1RAB9AKEAP1NFE2L2HSP90AA1
SCHEMBL29833108 0.73 KEAP1 (0.53) NPC1RAB9AKEAP1NFE2L2HSP90AA1
SCHEMBL5217700 0.71 NPC1 (0.45) NPC1RAB9ABCHESMN1; SMN2ABCG2
SCHEMBL5217224 0.69 MKNK1 (0.52) NPC1RAB9ABCHEMAPTSMN1; SMN2
SCHEMBL30935045 0.66 MEN1 (0.53) NPC1RAB9AKEAP1NFE2L2MAPT

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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL NPC1 716/4885RAB9A 2065/4885BCHE 1807/4885

“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.