SCHEMBL4198086

SCHEMBL4198086

COc1ccccc1Cc1n[nH]c(SCc2ccco2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
METAP2 P50579 3/20 0.38
AR P10275 1/20 0.38
CTSB P07858 1/20 0.38
HSD17B10 Q99714 3/20 0.36
KDM1A O60341 1/20 0.36
GAA P10253 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALPL P05186 1/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4028112 0.85 KMT2A (0.41) SMN1; SMN2POLBHTTMETAP2AR
SCHEMBL5915203 0.82 METAP2 (0.52) SMN1; SMN2POLBMETAP2HSD17B10HPGD
SCHEMBL4199893 0.81 SMN1; SMN2 (0.41) SMN1; SMN2POLBMETAP2ARCTSB
SCHEMBL5915190 0.81 ALDH1A1 (0.42) SMN1; SMN2POLBHTTCTSBHSD17B10
SCHEMBL4205435 0.80 CTSB (0.46) SMN1; SMN2POLBHTTMETAP2AR
SCHEMBL5915170 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HTTMETAP2ARCTSB
SCHEMBL5915205 0.79 NPC1 (0.54) SMN1; SMN2POLBHTTMETAP2AR
SCHEMBL5915130 0.78 SMN1; SMN2 (0.41) SMN1; SMN2METAP2ARCTSBHSD17B10
SCHEMBL5380678 0.77 MAPT (0.49) SMN1; SMN2POLBHTTMETAP2GAA
SCHEMBL5915159 0.77 TDP1 (0.42) SMN1; SMN2METAP2ARCTSBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
JP-2005506299-A 2005-03-03 JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 SMN1; SMN2 4622/4885POLB 941/4885HTT 1774/4885

“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.