SCHEMBL13562684

SCHEMBL13562684

CCCCN(CCO)CCC(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ POLB P06746 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HPGD P15428 3/20 0.48
▸ THRA P10827 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ CTNNB1 P35222 4/20 0.45
▸ WNT3A P56704 3/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC3 O15379 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
SCHEMBL13562576 0.90 ALDH1A1 (0.65) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL13562728 0.80 GSK3B (0.49) KMT2AALDH1A1RAB9AMEN1THRA
Hydrochloric Acid SCHEMBL5954117 0.80 LMNA (0.62) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL3176357 0.79 LMNA (0.71) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL13562555 0.79 LMNA (0.61) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL13562680 0.78 ALDH1A1 (0.53) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL3192172 0.78 HPGD (0.70) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL23859828 0.76 HPGD (0.73) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL8972518 0.76 HPGD (0.73) KMT2ALMNAALDH1A1POLBNPC1
SCHEMBL3183371 0.76 HPGD (0.73) KMT2ALMNAALDH1A1POLBNPC1

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
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — 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 (1 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 KMT2A 2055/4885LMNA 1332/4885ALDH1A1 2990/4885

“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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