SCHEMBL29132345

SCHEMBL29132345

O=C1c2ccccc2C(=O)N1CCOCc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
TYR P14679 1/20 0.48
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GSK3B P49841 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
GLS O94925 1/20 0.44

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
SCHEMBL816698 0.87 MAPK1 (0.57) RAB9AHPGDNPSR1MAPK1NPC1
SCHEMBL613784 0.84 RAB9A (0.63) RAB9AHPGDNPSR1MAPK1NPC1
SCHEMBL9760236 0.84 SMN1; SMN2 (0.51) RAB9AMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL23043116 0.82 MEN1 (0.45) RAB9AHPGDNPSR1MAPK1NPC1
SCHEMBL26813218 0.82 SMN1; SMN2 (0.53) RAB9AMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL7519591 0.82 GAA (0.60) RAB9AHPGDNPSR1NPC1SMN1; SMN2
SCHEMBL8862856 0.82 GAA (0.60) RAB9AHPGDNPSR1NPC1SMN1; SMN2
SCHEMBL8862940 0.82 GAA (0.60) RAB9AHPGDNPSR1NPC1SMN1; SMN2
SCHEMBL8862746 0.82 GAA (0.60) RAB9AHPGDNPSR1NPC1SMN1; SMN2
SCHEMBL23043410 0.81 MAOB (0.52) RAB9AHPGDNPSR1NPC1TSHR

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-20240247007-A1 CHEMICALLY LINKABLE NUCLEAR TARGETING TAGS SIGMA-ALDRICH CO. LLC 2024-07-25 US disclosed
CN-117279924-A Chemically-ligatable nuclear targeting tags 西格马-奥尔德里奇有限责任公司 2023-12-22 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-20240247007-A1 CHEMICALLY LINKABLE NUCLEAR TARGETING TAGS KPNA6, KPNB1, NUP93 RAB9A 2777/4885TYR 4275/4885HPGD 2625/4885

“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.