SCHEMBL24710963

SCHEMBL24710963

COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 8/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ MAPT P10636 7/20 0.58
▸ PTGS2 P35354 6/20 0.55
▸ LMNA P02545 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL24711498 0.86 MAPT (0.73) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL24710832 0.81 TP53 (0.66) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL24711270 0.79 MAPT (0.63) TP53SMN1; SMN2MAPTPTGS2CYP3A4
SCHEMBL24710830 0.76 MAPT (0.71) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL11592419 0.76 SMN1; SMN2 (0.55) TP53NPC1HTTSMN1; SMN2RAB9A
SCHEMBL24711277 0.75 MAPT (0.59) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL11307500 0.74 HDAC1 (0.55) TP53NPC1HTTSMN1; SMN2USP2
SCHEMBL24711203 0.74 MAPT (0.70) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL24711515 0.73 TP53 (0.80) TP53NPC1HTTHSD17B10SMN1; SMN2
SCHEMBL24711164 0.73 PTGES (0.70) TP53NPC1HTTHSD17B10SMN1; SMN2

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 TP53 673/4885NPC1 3114/4885HTT 4039/4885

“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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