SCHEMBL23809394

SCHEMBL23809394

CC(C)c1nn(C)c2cccc(C(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.43
EIF2AK2 P19525 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 4/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5998389 0.87 MAPK13 (0.42) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL26581194 0.80 TP53 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL27988705 0.76 HSD17B10 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL23809387 0.76 DHODH (0.42) ALDH1A1KDM4ELMNAPPARAPPARG
SCHEMBL28450698 0.72 ALDH1A1 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL21849158 0.72 MAPT (0.51) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL23809360 0.71 KDM4E (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5473230 0.69 GFER (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8320853 0.67 NAMPT (0.40) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL13806534 0.67 MMP2 (0.44) ALDH1A1KDM4ELMNAKMT2AHSD17B10

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MAPK13 2293/4885EIF2AK2 456/4885MAPK12 2086/4885

“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.