SCHEMBL4629451

SCHEMBL4629451

CN(C(=N)NC(=O)c1ccco1)c1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 6/20 0.44
KMT2A Q03164 6/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR2 Q92731 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
SCHEMBL4628955 0.83 RECQL (0.56) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL5283887 0.78 SCN2A (0.56) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL4628738 0.77 RAB9A (0.50) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL4628691 0.77 SCN2A (0.44) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL4628586 0.76 NPC1 (0.41) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL4629476 0.75 SCN2A (0.42) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL4627528 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL7122990 0.73 CA2 (0.52) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL4628458 0.69 USP2 (0.48) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL7122996 0.69 ALDH1A1 (0.68) SMN1; SMN2MAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 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 SMN1; SMN2 53/4885MAPT 705/4885ALDH1A1 858/4885

“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.