SCHEMBL5717524

SCHEMBL5717524

Cc1[nH]c2ccc(CC(N)=O)cc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54
▸ MAPT P10636 9/20 0.52
▸ HCRTR1 O43613 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ POLB P06746 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
SCHEMBL1684557 0.86 KDM4E (0.70) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL10717769 0.81 HTR1D (0.62) KDM4EALDH1A1HPGDSIRT1MAPT
SCHEMBL29586276 0.78 MAPT (0.51) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL1913689 0.78 MAPT (0.51) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL5023941 0.76 MAPT (0.57) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL18906764 0.76 MAPT (0.52) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL17444602 0.75 KDM4E (0.70) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL11970184 0.73 HCRTR1 (0.49) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL11955040 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL5018918 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTHRBMAPT

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 KDM4E 1204/4885ALDH1A1 2549/4885HPGD 2504/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885HPGD 2504/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885ALDH1A1 2482/4885HPGD 2843/4885

“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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