SCHEMBL4629258

SCHEMBL4629258

Cc1ccc(C(=O)NC(=N)N2CCc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KMT2A Q03164 4/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
GAA P10253 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SCN2A Q99250 1/20 0.56
MAPT P10636 7/20 0.55
MEN1 O00255 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NOTUM Q6P988 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 5/20 0.50

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
SCHEMBL6714690 0.76 GAA (0.53) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL4629261 0.74 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL2163256 0.73 GAA (1.00) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL28367564 0.73 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL4629457 0.73 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL4629262 0.72 SCN2A (1.00) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL6770585 0.72 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL7105266 0.72 SIGMAR1 (0.54) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL3456488 0.71 HPGD (0.83) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL31680509 0.71 HPGD (0.90) RAB9ANPC1SMN1; SMN2KMT2AHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA RAB9A 617/4885NPC1 140/4885SMN1; SMN2 53/4885

“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.