SCHEMBL23958110

SCHEMBL23958110

CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
KDM4E B2RXH2 1/20 0.43
KLK7 P49862 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
WDR5 P61964 1/20 0.42
JAK2 O60674 2/20 0.41
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL12885785 1.00 RXFP1 (0.47) RXFP1KDM4EKLK7NPC1HTT
SCHEMBL16854246 0.87 KCNK2 (0.42) KDM4EWDR5JAK2MAPTCTSS
SCHEMBL10163665 0.87 RXFP1 (0.55) RXFP1KDM4EHTTSMN1; SMN2JAK2
SCHEMBL11901858 0.85 CTSS (0.41) NPC1HTTRAB9ASMN1; SMN2JAK2
SCHEMBL11902012 0.85 CTSS (0.41) NPC1HTTRAB9ASMN1; SMN2JAK2
SCHEMBL11900816 0.85 CTSS (0.41) NPC1HTTRAB9ASMN1; SMN2JAK2
SCHEMBL19935710 0.81 NPC1 (0.52) KDM4EKLK7NPC1HTTRAB9A
SCHEMBL13258279 0.80 HDAC8 (0.51) RXFP1NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL13258134 0.80 HDAC8 (0.51) RXFP1NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL31323267 0.80 HDAC8 (0.51) RXFP1NPC1RAB9ASMN1; SMN2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORP (US) 2021-10-28 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 (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-20210332047-A1 QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA RXFP1 4825/4885KDM4E 3421/4885KLK7 2273/4885

“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.