SCHEMBL20248982

SCHEMBL20248982

CC(C)(C)C1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.78
ANO1 Q5XXA6 1/20 0.73
ALDH1A1 P00352 13/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 1/20 0.70
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
HPGD P15428 6/20 0.68
GAA P10253 5/20 0.68
GLA P06280 1/20 0.68
BLM P54132 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX12 P18054 1/20 0.61
KDM4E B2RXH2 4/20 0.60
LMNA P02545 2/20 0.59
TNNI3 P19429 1/20 0.59
TNNT2 P45379 1/20 0.59
TNNC1 P63316 1/20 0.59

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
SCHEMBL20248968 0.88 MAPT (1.00) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20248965 0.85 MAPT (0.78) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20248975 0.85 MAPT (0.78) MAPTANO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20248969 0.81 ALDH1A1 (1.00) MAPTANO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1622732 0.81 ALDH1A1 (1.00) MAPTANO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20248980 0.80 ALDH1A1 (0.98) MAPTANO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8291524 0.77 ALDH1A1 (0.49) MAPTANO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13210588 0.77 HPGD (0.68) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20248966 0.76 ALDH1A1 (0.68) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3280513 0.76 ALDH1A1 (0.56) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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 MAPT 4313/4885ANO1 3988/4885ALDH1A1 1232/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 MAPT 4313/4885ANO1 3988/4885ALDH1A1 1232/4885

“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.