SCHEMBL4087955

SCHEMBL4087955

Nc1ncc(Br)cc1OCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAP4K3 Q8IVH8 1/20 0.49
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
LTA4H P09960 1/20 0.48
MAPK14 Q16539 1/20 0.48
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
IKBKB O14920 1/20 0.45
MGMT P16455 1/20 0.43
MAP4K4 O95819 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL488302 0.85 LTA4H (0.57) NPC1RAB9AHTTSMN1; SMN2MAP4K3
SCHEMBL29857565 0.80 LTA4H (0.73) NPC1RAB9AHTTSMN1; SMN2MAP4K3
SCHEMBL26917169 0.80 LTA4H (0.73) NPC1RAB9AHTTSMN1; SMN2MAP4K3
SCHEMBL26917351 0.80 LTA4H (0.48) NPC1RAB9AHTTSMN1; SMN2MAP4K3
SCHEMBL29857946 0.79 MAOB (0.54) LRRK2SLC6A4MAPT
SCHEMBL26917276 0.79 MAOB (0.54) LRRK2SLC6A4MAPT
SCHEMBL29857872 0.79 MAOB (0.54) NPC1RAB9AHTTSMN1; SMN2HTR1A
SCHEMBL26916440 0.79 MAOB (0.54) NPC1RAB9AHTTSMN1; SMN2HTR1A
SCHEMBL17323482 0.77 HTR1A (0.54) MAP4K3HTR1ADRD2LTA4HMAPK14
SCHEMBL23247120 0.77 HTT (0.48) HTTHTR1ADRD2HSD17B10IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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 (2 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI NPC1 1802/4885RAB9A 3088/4885HTT 2046/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 NPC1 3141/4885RAB9A 2869/4885HTT 2627/4885

“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.