SCHEMBL13488666

SCHEMBL13488666

C#CCNC(=O)C(C#N)=C1SCC(=O)N1CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.45
▸ DHODH Q02127 8/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ CTH P32929 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13489800 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13488667 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3358942 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13488664 0.88 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3358918 0.88 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3354063 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13488669 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13488665 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3358375 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3354225 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885MEN1 3222/4885KMT2A 3012/4885

“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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