SCHEMBL5659338

SCHEMBL5659338

O=C(CBr)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.76
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTPN1 P18031 1/20 0.60
PTPN6 P29350 1/20 0.60
PTPN11 Q06124 1/20 0.60

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
SCHEMBL21067416 0.86 LTA4H (1.00) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3224230 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4075780 0.85 LTA4H (0.84) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7932279 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2170643 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4666205 0.84 RAB9A (0.74) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3505916 0.84 LTA4H (0.78) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11783174 0.83 LTA4H (0.68) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21295527 0.83 MEN1 (0.77) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4337193 0.82 RAB9A (0.75) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1

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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885RAB9A 844/4885SMN1; SMN2 4751/4885

“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.