SCHEMBL4657604

SCHEMBL4657604

NC(=Nc1cccc2ccccc12)NC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.65
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RRM1 P23921 1/20 0.47
KLF5 Q13887 1/20 0.47

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
SCHEMBL4629286 0.79 SCN2A (1.00) SCN2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4628973 0.79 SCN2A (0.77) SCN2ACYP1A2L3MBTL1GRIN2DGRIN3B
SCHEMBL4628426 0.76 SCN2A (0.68) SCN2AKDM4EGRIN2DGRIN3BGRIN1
Guanidine SCHEMBL27709676 0.75 SCN2A (0.64) SCN2AKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL27689880 0.74 SCN2A (0.67) SCN2AKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL4628701 0.72 SCN2A (0.60) SCN2AALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL4627486 0.72 SCN2A (0.60) SCN2AALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL4657603 0.72 ALDH1A1 (0.70) ATMALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL7427722 0.72 SIGMAR1 (0.64) SCN2ACYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL27714168 0.72 HDAC1 (0.61) ALDH1A1KDM4ELMNAHDAC1HDAC6

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 1613/4885ATM 3301/4885ALDH1A1 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.