SCHEMBL4628451

SCHEMBL4628451

Cc1ccc(C(=O)NC(=N)N(C)Cc2cccc(I)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
SCN2A Q99250 5/20 0.40
AOC3 Q16853 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
SCN5A Q14524 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ACHE P22303 1/20 0.39
LIMK2 P53671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5283887 0.79 SCN2A (0.56) ALDH1A1POLBSCN2AHSD17B1HSD17B2
SCHEMBL18316998 0.72 KMT2A (0.54) MEN1KMT2AALDH1A1HPGDAOC3
SCHEMBL29565561 0.69 AOC3 (0.49) MEN1KMT2AAOC3NPC1RAB9A
SCHEMBL4628691 0.68 SCN2A (0.44) MEN1KMT2AALDH1A1POLBSCN2A
SCHEMBL4628493 0.65 MAPT (0.42) ALDH1A1SCN2AHSD17B1HSD17B2NPC1
SCHEMBL13641355 0.65 NPC1 (0.58) MEN1KMT2AALDH1A1HPGDAOC3
SCHEMBL3718853 0.64 ALDH1A1 (0.54) ALDH1A1HPGDPOLBRAB9A
SCHEMBL25975226 0.64 KMT2A (0.49) MEN1KMT2AALDH1A1HPGDAOC3
SCHEMBL4629476 0.64 SCN2A (0.42) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL7776491 0.64 CYP1A2 (0.46) KMT2ARAB9ASMN1; 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 3 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 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 MEN1 1819/4885KMT2A 3245/4885ALDH1A1 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.