SCHEMBL4876655

SCHEMBL4876655

COc1cccc([C@]2(C#N)CC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
PDE4B Q07343 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
MAPK14 Q16539 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL4876650 1.00 NAAA (0.51) NAAAKMT2ANPC1MEN1RAB9A
SCHEMBL4876665 1.00 NAAA (0.51) NAAAKMT2ANPC1MEN1RAB9A
SCHEMBL5473357 0.94 KMT2A (0.52) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL5473360 0.94 KMT2A (0.52) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL5473354 0.94 KMT2A (0.52) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4882525 0.90 RAB9A (0.53) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4882523 0.90 RAB9A (0.53) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4882531 0.90 RAB9A (0.53) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4870855 0.86 NPC1 (0.54) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4870866 0.86 NPC1 (0.54) KMT2ANPC1MEN1RAB9ASMN1; 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 NAAA 1621/4885KMT2A 1132/4885NPC1 239/4885

“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.