SCHEMBL20248958

SCHEMBL20248958

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

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.78
▸ ALDH1A1 P00352 3/20 0.64
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ THRB P10828 2/20 0.61
▸ MAPT P10636 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ POLB P06746 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DCTPP1 Q9H773 1/20 0.48

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 0.90 MAPK1 (0.73) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248943 0.88 THRB (0.78) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248949 0.85 MAPK1 (0.67) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248937 0.79 KMT2A (0.73) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248942 0.76 THRB (1.00) MAPK1KMT2AMEN1THRBMAPT
SCHEMBL20248933 0.76 MAPT (0.70) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248944 0.74 LMNA (0.66) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20254573 0.74 MAPT (0.67) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL13889175 0.71 POLB (0.75) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL20248946 0.69 LMNA (1.00) ALDH1A1KMT2AMEN1THRBMAPT

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 MAPK1 2924/4885ALDH1A1 1232/4885KMT2A 2491/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 MAPK1 2924/4885ALDH1A1 1232/4885KMT2A 2491/4885

“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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