SCHEMBL4870855

SCHEMBL4870855

N#C[C@]1(c2cccc(O)c2)CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SMYD3 Q9H7B4 2/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
USP30 Q70CQ3 3/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD11B1 P28845 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
MGLL Q99685 1/20 0.40
RIPK2 O43353 1/20 0.40
MLLT1 Q03111 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
SCHEMBL4870866 1.00 NPC1 (0.54) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4870862 1.00 NPC1 (0.54) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4876665 0.86 NAAA (0.51) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4876650 0.86 NAAA (0.51) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4876655 0.86 NAAA (0.51) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4882525 0.83 RAB9A (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4882531 0.83 RAB9A (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4882523 0.83 RAB9A (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5473357 0.79 KMT2A (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5473354 0.79 KMT2A (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 NPC1 239/4885MEN1 3740/4885KMT2A 1132/4885

“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.