SCHEMBL24711434

SCHEMBL24711434

O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.75
▸ ALDH1A1 P00352 4/20 0.75
▸ GAA P10253 2/20 0.61
▸ SLC6A9 P48067 4/20 0.60
▸ SLC6A5 Q9Y345 3/20 0.60
▸ NPC1 O15118 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ RAB9A P51151 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ PAX8 Q06710 1/20 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
SCHEMBL3920380 0.79 SLC6A5 (0.86) MAPTALDH1A1SLC6A9SLC6A5PAX8
SCHEMBL24710979 0.78 KMT2A (0.72) MAPTALDH1A1GAANPC1MEN1
SCHEMBL13687923 0.76 SLC6A5 (0.84) MAPTALDH1A1SLC6A9SLC6A5NPC1
SCHEMBL3919355 0.76 SLC6A5 (1.00) MAPTALDH1A1SLC6A9SLC6A5PAX8
SCHEMBL5047429 0.75 SLC6A5 (0.81) MAPTALDH1A1SLC6A9SLC6A5PAX8
SCHEMBL24710952 0.75 MAPT (0.70) MAPTALDH1A1GAANPC1POLB
SCHEMBL24710998 0.75 KMT2A (0.73) MAPTALDH1A1GAANPC1POLB
SCHEMBL3929976 0.74 SLC6A9 (0.78) SLC6A9SLC6A5PAX8
SCHEMBL13687894 0.74 SLC6A5 (0.86) MAPTALDH1A1SLC6A9SLC6A5PAX8
SCHEMBL24710857 0.73 KMT2A (0.76) MAPTALDH1A1GAANPC1POLB

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 4038/4885ALDH1A1 4853/4885GAA 3203/4885

“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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