SCHEMBL22705455

SCHEMBL22705455

Cc1cccc(C2CCCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.51
LMNA P02545 3/20 0.48
ALDH1A1 P00352 5/20 0.46
OPRK1 P41145 1/20 0.43
ROCK2 O75116 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCD5 Q86SK9 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL22705466 0.92 RIPK1 (0.53) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705474 0.89 RIPK1 (0.67) RIPK1LMNAALDH1A1OPRK1SMN1; SMN2
SCHEMBL22705507 0.88 RIPK1 (0.63) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705447 0.88 RIPK1 (0.63) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705438 0.87 LMNA (0.52) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705476 0.87 LMNA (0.52) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705434 0.87 RIPK1 (0.53) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705484 0.82 LMNA (0.48) RIPK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22705392 0.81 LMNA (0.53) RIPK1LMNAALDH1A1OPRK1SMN1; SMN2
SCHEMBL22705459 0.81 HSP90AA1 (0.53) RIPK1LMNAALDH1A1SMN1; SMN2MAPT

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 RIPK1 146/4885LMNA 343/4885ALDH1A1 2251/4885

“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.