SCHEMBL20644841

SCHEMBL20644841

C=C(C)C(=O)N(O)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BCL2A1 Q16548 3/20 0.40
LSS P48449 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
CXCR3 P49682 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL628573 0.84 RIPK1 (0.53) ALDH1A1RAB9AALOX5PTGS1PTGS2
SCHEMBL23789297 0.80 ALDH1A1 (0.45) HTTALDH1A1RAB9ABCL2A1LSS
SCHEMBL6241722 0.73 ALDH1A1 (0.51) HTTALDH1A1RAB9ABCL2A1LSS
SCHEMBL9906097 0.72 ALDH1A1 (0.47) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6414624 0.72 MEN1 (0.56) HTTALDH1A1RAB9ALSSCNR2
SCHEMBL6412640 0.71 ALDH1A1 (0.68) HTTALDH1A1RAB9ALSSMEN1
SCHEMBL28396630 0.70 HTT (0.49) HTTALDH1A1RAB9ABCL2A1LSS
SCHEMBL23803520 0.70 RIPK1 (0.72) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL2280432 0.70 ALDH1A1 (0.49) HTTALDH1A1RAB9ALSSMEN1
SCHEMBL28062695 0.70 ALDH1A1 (0.52) HTTALDH1A1RAB9ABCL2A1LSS

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-10544132-B2 Isoindolinone inhibitors of the MDM2-p53 interaction having anticancer activity ASTEX THERAPEUTICS LIMITED (GB) 2020-01-28 US disclosed
US-20190016708-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2019-01-17 US 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 (2 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-10544132-B2 Isoindolinone inhibitors of the MDM2-p53 interaction having anticancer activity TP53, MDM2, TP53BP1 HTT 352/4885ALDH1A1 1400/4885RAB9A 3592/4885
US-20190016708-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 HTT 352/4885ALDH1A1 1400/4885RAB9A 3592/4885

“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.