SCHEMBL23873802

SCHEMBL23873802

COC(=O)c1[nH]c2ccc(C)cc2c1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.74
KDM4E B2RXH2 12/20 0.74
MAPT P10636 7/20 0.74
GAA P10253 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
NPC1 O15118 1/20 0.74
TP53 P04637 1/20 0.74
RAB9A P51151 1/20 0.74
HSD17B10 Q99714 9/20 0.59
HPGD P15428 7/20 0.59
NPSR1 Q6W5P4 3/20 0.59
ALOX15 P16050 2/20 0.59
USP2 O75604 2/20 0.59
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
TSHR P16473 3/20 0.54
HTT P42858 2/20 0.54
GFER P55789 2/20 0.54
NR4A2 P43354 1/20 0.52
MAPK1 P28482 2/20 0.50

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
SCHEMBL25751659 0.84 KDM4E (0.58) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL10462854 0.82 KDM4E (0.57) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL18121487 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL31019418 0.80 KDM4E (0.66) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL5220303 0.80 KDM4E (0.66) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL5392425 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL13684477 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL9264953 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL18932679 0.75 NR4A2 (0.67) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL28746471 0.75 KDM4E (0.82) ALDH1A1KDM4EMAPTGAASMN1; 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-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 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-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALDH1A1 2287/4885KDM4E 3253/4885MAPT 91/4885

“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.