SCHEMBL5276252

SCHEMBL5276252

NC(=O)C=Cc1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ HPGD P15428 4/20 0.68
▸ NPC1 O15118 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ NFKB2 Q00653 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ PKM P14618 1/20 0.61

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
SCHEMBL5276244 1.00 MAPT (0.68) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30209646 1.00 MAPT (0.68) MAPTMEN1KMT2AALDH1A1HPGD
Propionic Acid SCHEMBL27576117 0.90 KMT2A (0.60) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL29374397 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL531504 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL29453353 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15486685 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL179873 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL31357475 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15486687 0.86 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 — — EP disclosed
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
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO 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 MAPT 3557/4885MEN1 2872/4885KMT2A 2302/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MAPT 3557/4885MEN1 2872/4885KMT2A 2302/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MAPT 3349/4885MEN1 2870/4885KMT2A 2312/4885

“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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