SCHEMBL4629476

SCHEMBL4629476

CN(C(=N)NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.42
S1PR3 Q99500 4/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 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
SCHEMBL4628691 0.88 SCN2A (0.44) SCN2AMEN1KMT2AMAPTRAB9A
SCHEMBL5283887 0.84 SCN2A (0.56) SCN2AMAPTRAB9AKDM4ENPC1
SCHEMBL4627528 0.82 SMN1; SMN2 (0.43) SCN2AMEN1KMT2ARAB9ANPC1
SCHEMBL4659371 0.78 HPGD (0.46) S1PR3S1PR2S1PR4MEN1KMT2A
SCHEMBL4629451 0.75 SMN1; SMN2 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4628586 0.75 NPC1 (0.41) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL4629253 0.71 KMT2A (0.44) SCN2AMEN1KMT2AMAPTRAB9A
SCHEMBL11269190 0.70 HDAC3 (0.40) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL6717121 0.68 GRIN2D (0.46) SCN2AMAPTSIGMAR1
SCHEMBL4628458 0.68 USP2 (0.48) ALDH1A1HPGD

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 SCN2A 1613/4885S1PR3 1370/4885S1PR2 1410/4885

“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.