SCHEMBL4882525

SCHEMBL4882525

CCOc1cccc([C@]2(C#N)CC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PDE4B Q07343 1/20 0.44
MAPT P10636 1/20 0.44
SMYD3 Q9H7B4 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
OPRK1 P41145 1/20 0.42
DHODH Q02127 1/20 0.41
PKM P14618 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4882523 1.00 RAB9A (0.53) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4882531 1.00 RAB9A (0.53) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4876655 0.90 NAAA (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4876665 0.90 NAAA (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4876650 0.90 NAAA (0.51) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5473357 0.83 KMT2A (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5473360 0.83 KMT2A (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4870855 0.83 NPC1 (0.54) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4870866 0.83 NPC1 (0.54) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5473354 0.83 KMT2A (0.52) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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 RAB9A 4340/4885SMN1; SMN2 3219/4885HPGD 3005/4885

“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.