SCHEMBL4629262

SCHEMBL4629262

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 1.00
RAB9A P51151 8/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 2/20 0.65
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NOTUM Q6P988 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.49
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL4628474 0.93 SCN2A (0.86) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4628733 0.87 SCN2A (0.77) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4628750 0.81 SCN2A (0.69) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4627586 0.80 SCN2A (0.67) SCN2ASMN1; SMN2KMT2AHPGDMAPT
SCHEMBL4628545 0.79 STAT3 (0.67) SCN2ARAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7681718 0.79 SCN2A (0.64) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4659179 0.77 SCN2A (0.62) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4658155 0.77 SCN2A (0.62) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4628459 0.76 TSHR (0.66) SCN2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4628667 0.76 NPC1 (0.66) SCN2ARAB9ANPC1SMN1; SMN2KMT2A

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 SCN2A 1613/4885RAB9A 617/4885NPC1 140/4885

“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.