SCHEMBL30165323

SCHEMBL30165323

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccc(Br)n3)nc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 4/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTBP1 P26599 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL30736107 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL26991102 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL26986716 0.87 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL23860753 0.87 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL23860751 0.87 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL26986487 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL30736154 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL30736196 0.85 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL30736217 0.85 MAPT (0.43) ABL1RIN1MEN1KMT2AACKR3
SCHEMBL23860739 0.84 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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-20240043405-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. 2024-02-08 US disclosed
EP-4125895-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 Dana-Farber Cancer Institute, Inc. (US) 2023-02-08 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-20240043405-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 IRAK1, IRAK2, IRAK3 NPC1 1194/4885RAB9A 2952/4885ALDH1A1 2149/4885

“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.