SCHEMBL20248937

SCHEMBL20248937

CCN(CC)CCSc1nnc2c3cc(F)ccc3n(CC(C)C)c2n1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ THRB P10828 1/20 0.73
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20248957 0.89 MAPK1 (0.73) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248942 0.85 THRB (1.00) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248958 0.79 MAPK1 (0.78) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248944 0.77 LMNA (0.66) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248923 0.76 ALDH1A1 (0.52) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20254405 0.75 ALDH1A1 (0.51) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248949 0.75 MAPK1 (0.67) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248935 0.74 THRB (0.80) KMT2AMEN1THRBLMNAPOLB
SCHEMBL20248943 0.73 THRB (0.78) KMT2AMEN1THRBMAPK1LMNA
SCHEMBL20248946 0.71 LMNA (1.00) KMT2AMEN1THRBLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253035-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-04-09 — — US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 — — US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 — — 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 (2 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-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 KMT2A 2491/4885MEN1 3656/4885THRB 1874/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 KMT2A 2491/4885MEN1 3656/4885THRB 1874/4885

“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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