SCHEMBL335312

SCHEMBL335312

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 5/20 0.49
NPC1 O15118 2/20 0.49
SIGMAR1 Q99720 4/20 0.48
EGFR P00533 5/20 0.48
ERBB2 P04626 5/20 0.48
HPGD P15428 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK8 P45983 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
SCHEMBL334890 0.86 NPC1 (0.47) NPC1SIGMAR1EGFRERBB2HPGD
SCHEMBL334413 0.86 HPGD (0.45) NPC1HPGD
SCHEMBL334404 0.86 NPC1 (0.47) NPC1SIGMAR1EGFRERBB2HPGD
SCHEMBL334943 0.84 NPC1 (0.45) NPC1SIGMAR1EGFRERBB2HPGD
SCHEMBL20312698 0.80 NPC1 (0.72) NPC1SIGMAR1EGFRERBB2
SCHEMBL335221 0.77 HPGD (0.74) NPC1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL22307492 0.76 ALPL (0.59) AIMP2SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL22307899 0.76 ALPL (0.59) AIMP2SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL22307900 0.76 ALPL (0.59) AIMP2SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL335234 0.76 NPC1 (0.53) NPC1CYP2C9CYP2C19

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 AIMP2 3333/4885NPC1 209/4885SIGMAR1 3998/4885

“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.