SCHEMBL24710835

SCHEMBL24710835

CC(C)CC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.71
▸ KDM4E B2RXH2 10/20 0.71
▸ HSD17B10 Q99714 9/20 0.71
▸ NPC1 O15118 8/20 0.71
▸ RAB9A P51151 8/20 0.71
▸ HPGD P15428 8/20 0.71
▸ SMN1; SMN2 Q16637 7/20 0.71
▸ TP53 P04637 5/20 0.71
▸ TSHR P16473 2/20 0.71
▸ USP2 O75604 4/20 0.70
▸ MAPK1 P28482 3/20 0.70
▸ CASP3 P42574 1/20 0.63
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MAPT P10636 4/20 0.56
▸ UTRN P46939 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ THRB P10828 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ POLB P06746 2/20 0.55

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
SCHEMBL2242803 0.76 NPC1 (1.00) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2246140 0.76 ALDH1A1 (0.77) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2240780 0.75 CHIA (0.79) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2242920 0.75 SMN1; SMN2 (0.80) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2243066 0.75 CASP3 (0.74) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2245556 0.75 UTRN (0.71) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2245009 0.74 KDM4E (0.84) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2242342 0.74 UTRN (0.69) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2242648 0.74 KDM4E (0.71) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2245196 0.74 KDM4E (0.71) ALDH1A1KDM4EHSD17B10NPC1RAB9A

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-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 — — 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-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 ALDH1A1 4853/4885KDM4E 2942/4885HSD17B10 4652/4885

“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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