SCHEMBL23919952

SCHEMBL23919952

CC(C)(C)c1cc(N)nc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HMGCR P04035 1/20 0.37
HSP90AA1 P07900 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN5A Q14524 1/20 0.33
GRIN2C Q14957 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL24506835 0.85 GAA (0.50) KDM4EGAAMAPTPOLBHSP90AA1
SCHEMBL24027321 0.85 HSP90AA1 (0.46) KDM4EGAAMAPTPOLBHSD17B10
SCHEMBL23344931 0.85 NOS3 (0.42) KDM4EMAPTHSD17B10HSP90AA1GABRB2
SCHEMBL305093 0.83 GABRA1 (0.43) KDM4EGAAMAPTPOLBHSD17B10
Hydrochloric Acid SCHEMBL31414207 0.80 POLB (0.44) KDM4EGAAMAPTPOLBHSD17B10
SCHEMBL3178396 0.77 NOS3 (0.54) KDM4EGAAMAPTPOLBHSP90AA1
SCHEMBL25696336 0.77 NOS2 (0.54) KDM4EHSD17B10
SCHEMBL179483 0.76 GAA (0.42) KDM4EGAAMAPTPOLBHSP90AA1
SCHEMBL24126364 0.76 KDM4E (0.42) KDM4EGAAMAPTPOLBHSP90AA1
SCHEMBL22549257 0.76 HSD17B10 (0.41) KDM4EHSD17B10HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 KDM4E 586/4885GAA 4334/4885MAPT 1310/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 KDM4E 586/4885GAA 4334/4885MAPT 1310/4885

“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.