SCHEMBL4946590

SCHEMBL4946590

Cc1c(F)cccc1Nc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
APP P05067 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
SNCA P37840 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3607119 0.82 MAPT (0.56) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL29414658 0.82 MAPT (0.56) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL3147293 0.81 MAPT (0.50) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL4064030 0.79 GAA (0.52) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL13652999 0.78 ALDH1A1 (0.59) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL5242624 0.78 CYP3A4 (0.62) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL29338000 0.77 GAA (0.52) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL2677107 0.77 MAPT (0.71) GAAMAPTTDP1ALDH1A1KDM4E
SCHEMBL153699 0.75
SCHEMBL29502125 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GAA 525/4885MAPT 97/4885TDP1 367/4885

“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.