SCHEMBL13488665

SCHEMBL13488665

CCN1C(=O)CSC1=C(C#N)C(=O)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ DHODH Q02127 8/20 0.40
▸ PLK1 P53350 2/20 0.40
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3354225 1.00 MEN1 (0.46) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL3358454 0.91 ALDH1A1 (0.44) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL13488664 0.86 ALDH1A1 (0.49) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL3358918 0.86 ALDH1A1 (0.49) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL3358942 0.85 ALDH1A1 (0.48) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL13488667 0.85 ALDH1A1 (0.48) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL3354063 0.84 ALDH1A1 (0.46) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL3358375 0.83 ALDH1A1 (0.46) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL13488666 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL13489800 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTHSD17B10ALDH1A1

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 MEN1 3222/4885KMT2A 3012/4885MAPT 705/4885

“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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