SCHEMBL335234

SCHEMBL335234

O=C(CC[C@@H]1CO1)NCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX5 P09917 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTOR P42345 1/20 0.43
TP53 P04637 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KMT2A Q03164 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
SCHEMBL4075832 0.80 GAA (0.64) NPC1MAPTLMNAALOX5RXFP1
SCHEMBL334890 0.79 NPC1 (0.47) NPC1MAPTKMT2A
SCHEMBL334413 0.79 HPGD (0.45) NPC1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL334404 0.79 NPC1 (0.47) NPC1MAPTKMT2A
SCHEMBL17372432 0.77 NPC1 (0.57) NPC1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL334943 0.77 NPC1 (0.45) NPC1ALDH1A1
SCHEMBL335312 0.76 AIMP2 (0.49) NPC1CYP2C9CYP2C19
SCHEMBL24499495 0.75 NPC1 (0.61) NPC1MAPTLMNACYP2C9CYP2C19
SCHEMBL6290206 0.75 NPC1 (0.61) NPC1MAPTLMNACYP2C9CYP2C19
SCHEMBL6290205 0.75 NPC1 (0.61) NPC1MAPTLMNACYP2C9CYP2C19

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 209/4885ALDH1A1 1939/4885POLB 3348/4885

“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.