SCHEMBL334943

SCHEMBL334943

O=C(Cc1cccc(Br)c1)NCCC[C@@H]1CO1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
GLS O94925 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK8 P45983 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL334890 0.92 NPC1 (0.47) NPC1SIGMAR1EGFRERBB2GLS
SCHEMBL334404 0.92 NPC1 (0.47) NPC1SIGMAR1EGFRERBB2GLS
SCHEMBL335312 0.84 AIMP2 (0.49) NPC1SIGMAR1EGFRERBB2GLS
SCHEMBL334813 0.80 L3MBTL1 (0.59) NPC1SIGMAR1GAAHPGDALDH1A1
SCHEMBL335818 0.78 MAPT (0.50) EGFRERBB2GAAALDH1A1
SCHEMBL335234 0.77 NPC1 (0.53) NPC1ALDH1A1
SCHEMBL334661 0.76 LMNA (0.61) NPC1SIGMAR1GAAHPGDALDH1A1
SCHEMBL334538 0.76 L3MBTL1 (0.55) EGFRERBB2HPGD
SCHEMBL334352 0.75 LMNA (0.63) NPC1SIGMAR1HPGDALDH1A1
SCHEMBL335982 0.73 DGAT2 (0.37) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 NPC1 209/4885SIGMAR1 3998/4885EGFR 3197/4885

“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.