SCHEMBL25816394

SCHEMBL25816394

Cn1ccc(/C=C/C=O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.34
KEAP1 Q14145 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
NPC1 O15118 2/20 0.30
JMJD6 Q6NYC1 1/20 0.30

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
SCHEMBL370944 0.79
SCHEMBL22708167 0.77
SCHEMBL25610512 0.74 HDAC1 (0.41) HDAC1HDAC2KMT2AALDH1A1LMNA
SCHEMBL1358017 0.73 HDAC1 (0.54) HDAC1HDAC2KMT2AALDH1A1LMNA
SCHEMBL1124471 0.73 HDAC1 (0.54) HDAC1HDAC2KMT2AALDH1A1LMNA
SCHEMBL6879590 0.73 KEAP1 (0.51) KMT2AALDH1A1LMNATRPA1ALOX5
SCHEMBL6879585 0.73 KEAP1 (0.51) KMT2AALDH1A1LMNATRPA1ALOX5
SCHEMBL8195400 0.72
SCHEMBL17788547 0.71 HDAC1 (0.38) HDAC1HDAC2KMT2AKEAP1KDM4E
SCHEMBL568063 0.71 HDAC1 (0.38) HDAC1HDAC2KMT2AKEAP1KDM4E

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
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
EP-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 EP 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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 HDAC1 859/4885HDAC2 1468/4885KMT2A 3609/4885

“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.