SCHEMBL5717797

SCHEMBL5717797

NC(=O)C(Nc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRA2A P08913 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
GSK3B P49841 1/20 0.48
DHODH Q02127 1/20 0.48
EDNRA P25101 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL5717741 0.89 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPTTSHR
SCHEMBL8605735 0.85 NPC1 (0.56) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20379160 0.84 RAB9A (0.55) RAB9ANPC1ALDH1A1MAPTTSHR
SCHEMBL15799244 0.81 CTSA (0.46) RAB9ANPC1ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL15558799 0.77 RAB9A (0.58) RAB9ANPC1ALDH1A1MAPTTSHR
SCHEMBL16838610 0.77 MAPT (0.50) RAB9ANPC1ALDH1A1MAPTTSHR
SCHEMBL21530809 0.76 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL21530808 0.76 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2537569 0.76 CYP3A4 (0.54) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL23715809 0.76 NPC1 (0.50) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 RAB9A 1478/4885NPC1 122/4885ALDH1A1 2549/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 RAB9A 1478/4885NPC1 122/4885ALDH1A1 2549/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 RAB9A 1258/4885NPC1 86/4885ALDH1A1 2482/4885

“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.