SCHEMBL24710953

SCHEMBL24710953

O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.74
▸ KDM4E B2RXH2 6/20 0.70
▸ MAPT P10636 11/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ HTT P42858 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ NPC1 O15118 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ TNF P01375 1/20 0.68
▸ NOD2 Q9HC29 1/20 0.68
▸ NOD1 Q9Y239 1/20 0.68
▸ POLB P06746 3/20 0.65
▸ MAPK1 P28482 2/20 0.61
▸ HTR1E P28566 1/20 0.60

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
SCHEMBL24710972 0.94 MAPT (0.74) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24710952 0.87 MAPT (0.70) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24711208 0.83 RAB9A (0.69) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24711233 0.82 MAPT (0.70) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24710800 0.81 MAPT (0.68) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24711140 0.81 MAPT (0.63) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24710796 0.79 MAPT (0.75) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24711237 0.78 MAPT (0.68) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24710978 0.78 MAPT (0.65) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL27868424 0.76 RAB9A (0.71) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1

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 KMT2A 3862/4885KDM4E 2942/4885MAPT 4038/4885

“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.

Send feedback