SCHEMBL31364477

SCHEMBL31364477

C=C(NC(=O)c1csc(N2CCN(C(=O)COCCOC)CC2)n1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
OGA O60502 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL27147155 0.89 HRH3 (0.35) HRH3LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL30807308 0.79 PIN1 (0.43) HRH3LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL27142108 0.73 ACKR3 (0.37) HRH3MEN1KMT2AOGAALDH1A1
SCHEMBL30807337 0.73 OGA (0.37) HRH3KMT2ANPC1RAB9AOGA
SCHEMBL27151795 0.72 HRH3 (0.34) HRH3LMNAMEN1KMT2AL3MBTL1
SCHEMBL30807355 0.71 HRH3 (0.34) HRH3LMNAMEN1KMT2AL3MBTL1
SCHEMBL30807332 0.71 GRM5 (0.47) HRH3MAPK1NPC1RAB9AALDH1A1
SCHEMBL27150696 0.70 ACKR3 (0.41) HRH3LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL27145076 0.69 ACKR3 (0.38) HRH3LMNAMEN1KMT2AL3MBTL1
SCHEMBL31364452 0.69 OGA (0.35) HRH3KMT2AOGAEPHX2

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-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES 2025-01-09 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-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 HRH3 3251/4885LMNA 2798/4885MAPT 4743/4885

“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.