SCHEMBL334890

SCHEMBL334890

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
SIGMAR1 Q99720 4/20 0.46
EGFR P00533 5/20 0.46
ERBB2 P04626 5/20 0.46
MAPK8 P45983 1/20 0.43
GLS O94925 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL334404 1.00 NPC1 (0.47) NPC1SIGMAR1EGFRERBB2MAPK8
SCHEMBL334943 0.92 NPC1 (0.45) NPC1SIGMAR1EGFRERBB2MAPK8
SCHEMBL335312 0.86 AIMP2 (0.49) NPC1SIGMAR1EGFRERBB2MAPK8
SCHEMBL334538 0.83 L3MBTL1 (0.55) EGFRERBB2KMT2AHPGD
SCHEMBL335982 0.81 DGAT2 (0.37) MAPTKMT2A
SCHEMBL335234 0.79 NPC1 (0.53) NPC1MAPTKMT2A
SCHEMBL334382 0.78 L3MBTL1 (0.62) NPC1SIGMAR1MAPTKMT2AHPGD
SCHEMBL335311 0.76 CA12 (0.50) NPC1SIGMAR1MAPK8KMT2ACA12
SCHEMBL334728 0.74 RIPK1 (0.41) SIGMAR1EGFRERBB2KMT2A
SCHEMBL334413 0.74 HPGD (0.45) NPC1MAPTKMT2AHPGD

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.