SCHEMBL24710952

SCHEMBL24710952

O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.70
▸ MAPK1 P28482 4/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ ALDH1A1 P00352 8/20 0.67
▸ HTT P42858 5/20 0.67
▸ LMNA P02545 5/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ NTSR1 P30989 1/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ POLB P06746 2/20 0.67
▸ GAA P10253 3/20 0.66
▸ KDM4E B2RXH2 4/20 0.63
▸ USP2 O75604 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57

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
SCHEMBL24710953 0.87 KMT2A (0.74) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24710972 0.81 MAPT (0.74) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24710948 0.78 MAPT (0.61) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24710964 0.78 MAPT (0.65) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24711434 0.75 MAPT (0.75) MAPTMAPK1RAB9ANPC1ALDH1A1
SCHEMBL1663894 0.74 KMT2A (0.65) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL14082979 0.71 SMN1; SMN2 (0.69) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24711208 0.71 RAB9A (0.69) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15943489 0.70 KMT2A (0.66) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL24711233 0.69 MAPT (0.70) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1

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 MAPT 4038/4885MAPK1 3980/4885SMN1; SMN2 1343/4885

“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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