SCHEMBL2424813

SCHEMBL2424813

O=C(O)c1cc(Oc2cccc(F)c2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
GRM5 P41594 4/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM6B O15054 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
BBOX1 O75936 1/20 0.45
MAPT P10636 1/20 0.45
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
ASPH Q12797 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
KDM7A Q6ZMT4 1/20 0.45
KDM8 Q8N371 1/20 0.45
TET1 Q8NFU7 1/20 0.45
EGLN2 Q96KS0 1/20 0.45
FTO Q9C0B1 1/20 0.45

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
SCHEMBL23337485 0.88 KDM4E (0.47) KMOGRM5KDM4EALDH1A1KDM6B
SCHEMBL29757280 0.87 USP2 (0.50) GRM5
SCHEMBL23900346 0.87 USP2 (0.50) GRM5
SCHEMBL22737610 0.85 GCK (0.54) GRM5KDM4EALDH1A1KDM6BTET3
SCHEMBL2427202 0.84 P2RX3 (0.52) GRM5KDM4EALDH1A1KDM6BTET3
Hydrochloric Acid SCHEMBL23067776 0.84 GCK (0.52) GRM5KDM4EALDH1A1KDM6BTET3
SCHEMBL5487778 0.83 KDR (0.57) GRM5ABL1
SCHEMBL23337298 0.82 GCK (0.56) GRM5KDM4EALDH1A1KDM6BTET3
SCHEMBL3409437 0.82 MAOB (0.54) GRM5KDM4EALDH1A1KDM6BTET3
SCHEMBL26036507 0.81 RAF1 (0.50) KDM5AKDM4CKDM5BPPARG

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-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed
WO-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 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 (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-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 KMO 4469/4885GRM5 3765/4885KDM4E 4473/4885

“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.