SCHEMBL22043535

SCHEMBL22043535

Nc1cc(-c2ncco2)ccc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 2/20 0.42
CHEK1 O14757 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
MAP2K2 P36507 1/20 0.40
CDK8 P49336 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
TYRO3 Q06418 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30734264 0.86 KDM4E (0.40) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL22043536 0.75 RXFP1 (0.48) KDM4EGAAMAPTALOX15TP53
SCHEMBL30958721 0.75 RXFP1 (0.48) KDM4EGAAMAPTALOX15TP53
SCHEMBL30734310 0.73 TP53 (0.47) GAAMAPTL3MBTL1TP53RXFP1
SCHEMBL10219511 0.73 NPC1 (0.49) KDM4EGAAMAPTALDH1A1TP53
SCHEMBL17531762 0.72 MEN1 (0.48) CDK8ALDH1A1L3MBTL1TP53LTA4H
SCHEMBL23176959 0.71 BRD4 (0.55) KDM4EGAAMAPTALOX15ALDH1A1
SCHEMBL8609359 0.71 MAPT (0.62) KDM4EGAAMAPTALOX15CHEK1
SCHEMBL23850847 0.69 S100B (0.49) KDM4EGAAMAPTALOX15ALDH1A1
SCHEMBL4129863 0.69 KDM4E (0.46) KDM4EGAAMAPTALOX15CHEK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-05-16 US disclosed
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
WO-2020113028-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-04 WO 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 (2 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-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 KDM4E 3253/4885GAA 701/4885MAPT 91/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 KDM4E 3253/4885GAA 701/4885MAPT 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.