SCHEMBL25166397

SCHEMBL25166397

CSc1nc(NCCCN2CCOCC2)nc(SC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
RAD52 P43351 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PIM1 P11309 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44

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
SCHEMBL25166403 0.95 HSP90AA1 (0.48) HSP90AA1KDM4EGAALMNAKMT2A
SCHEMBL24831532 0.92 HSD17B10 (0.54) HSP90AA1KDM4EGAALMNAKMT2A
SCHEMBL24831906 0.87 HSP90AA1 (0.53) HSP90AA1KDM4EGAALMNAKMT2A
SCHEMBL25166626 0.86 HSP90AA1 (0.50) HSP90AA1KDM4ELMNAKMT2ARAB9A
SCHEMBL24831574 0.85 SRC (0.42)
SCHEMBL24831567 0.83 HSD17B10 (0.57) HSP90AA1KDM4EGAALMNAKMT2A
SCHEMBL25166627 0.82 LMNA (0.53) HSP90AA1KDM4ELMNAKMT2ARAB9A
SCHEMBL12691621 0.81 KMT2A (0.51) KDM4EGAALMNAKMT2APOLB
SCHEMBL13397875 0.81 KDM4E (0.51) KDM4EGAALMNAKMT2APOLB
SCHEMBL24831460 0.78 HSD17B10 (0.41) LMNAHSD17B10

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-20230123334-A1 AMINO LIPID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shenzhen Shenxin Biotechnology Co., Ltd. (CN) 2023-04-20 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-20230123334-A1 AMINO LIPID COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CETP, PLIN1, NOTUM HSP90AA1 3936/4885KDM4E 1895/4885GAA 2909/4885

“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.