SCHEMBL5717673

SCHEMBL5717673

NC(=O)CC(CC(=O)Nc1ccccn1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ ITGB3 P05106 1/20 0.52
▸ ITGAV P06756 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL5717689 0.89 ITGB3 (0.63) GAANPC1RAB9AITGB3ITGAV
SCHEMBL11175663 0.83 GAA (0.67) GAANPC1RAB9APOLBCYP1A2
SCHEMBL3847254 0.80 HDAC3 (0.58) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6102382 0.78 ALPL (0.45) NPC1RAB9AITGB3ITGAVPOLB
SCHEMBL9105247 0.77 ALDH1A1 (0.63) CYP1A2ALDH1A1MEN1KMT2ASLC6A3
SCHEMBL10520532 0.76 GAA (0.56) GAANPC1RAB9APOLBCYP1A2
SCHEMBL11172769 0.76 HTT (0.56) GAANPC1RAB9AITGB3ITGAV
SCHEMBL10130727 0.75 GAA (0.69) GAANPC1RAB9APOLBCYP1A2
SCHEMBL5862039 0.74 GRIN2D (0.55) CYP1A2ALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL4618907 0.74 GAA (0.63) GAANPC1RAB9APOLBCYP1A2

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 GAA 593/4885NPC1 122/4885RAB9A 1478/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 GAA 593/4885NPC1 122/4885RAB9A 1478/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 GAA 584/4885NPC1 86/4885RAB9A 1258/4885

“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.

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