SCHEMBL5717682

SCHEMBL5717682

Cc1ncc(Br)c(O)c1OCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL5717644 0.86 ALOX15 (0.41) PKMKMT2AHTTHSD17B10
SCHEMBL92985 0.74 THRA (0.42) ALDH1A1KMT2APOLB
SCHEMBL5717592 0.71 CASP1 (0.37) ALDH1A1MAPK1KMT2ACASP1HTT
SCHEMBL82592 0.71 THRB (0.43) ALDH1A1MAPK1KMT2AHTTL3MBTL1
SCHEMBL15322103 0.67 KDM4E (0.42) ALDH1A1KMT2AHTTL3MBTL1HSD17B10
SCHEMBL4483469 0.67 ALDH1A1 (0.49) ALDH1A1MAPK1PKMKMT2AHTT
SCHEMBL23146849 0.67 CA12 (0.46) ALDH1A1PKMKMT2AHTTPDE4D
SCHEMBL28752069 0.66 NQO2 (0.35) ALDH1A1KMT2AHSD17B10LMNA
SCHEMBL23147036 0.66 KDM4E (0.44) ALDH1A1PKMKMT2AHTT
SCHEMBL18495782 0.66 NQO2 (0.38) ALDH1A1KMT2AHTTHSD17B10LMNA

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 ALDH1A1 2549/4885MAPK1 3389/4885PKM 956/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MAPK1 3389/4885PKM 956/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885MAPK1 2492/4885PKM 1051/4885

“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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