SCHEMBL22705472

SCHEMBL22705472

CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ADAM17 P78536 2/20 0.41

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
SCHEMBL22705460 0.83 LMNA (0.47) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705434 0.81 RIPK1 (0.53) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705462 0.81 LMNA (0.45) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705489 0.81 LMNA (0.47) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705447 0.78 RIPK1 (0.63) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705507 0.78 RIPK1 (0.63) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705476 0.78 LMNA (0.52) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705438 0.78 LMNA (0.52) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705484 0.77 LMNA (0.48) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL22705388 0.77 LMNA (0.55) LMNAALDH1A1KDM4ETSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-07 US disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 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-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, TNF, BAD LMNA 343/4885ALDH1A1 2251/4885KDM4E 3948/4885

“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.