SCHEMBL25310219

SCHEMBL25310219

CCOC(=O)c1cnn(C)c1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 4/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRB2 P47870 1/20 0.46

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
SCHEMBL22534352 0.83 NR4A3 (0.51) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14973188 0.82 TSHR (0.52) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL16229739 0.81 RAB9A (0.48) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL29447978 0.80 RIPK2 (0.44) ALDH1A1
SCHEMBL14973187 0.80 RAB9A (0.47) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL32660852 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL4701633 0.79 HPGD (0.50) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL10719117 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL11890412 0.78 ALDH1A1 (0.71) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL21333190 0.77 SMN1; SMN2 (0.60) ALDH1A1HPGDKMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
CN-116234810-A Cell apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2023-06-06 CN disclosed
CN-114262322-A Apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2022-04-01 CN disclosed
WO-2022057787-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海有机化学研究所 2022-03-24 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-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF RIPK1, RIPK4, RIPK3 ALDH1A1 4259/4885HPGD 1300/4885KMT2A 4669/4885

“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.