SCHEMBL4031165

SCHEMBL4031165

CN(C)c1ccc(Cc2n[nH]c(SCc3ccc(Cl)s3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ELANE P08246 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL5915140 0.88 TDP1 (0.36) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5915237 0.87 DAO (0.39) MAPK1NPC1RAB9ADAO
SCHEMBL5915146 0.81 METAP2 (0.39) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5915162 0.79 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4355607 0.79 METAP2 (0.45) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5915185 0.78 DAO (0.37) MAPK1NPC1RAB9ADAO
SCHEMBL5915210 0.78 GAA (0.43) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4347155 0.77 TDP1 (0.36) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5915165 0.77 ALDH1A1 (0.36) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4035769 0.76 SMN1; SMN2 (0.39) ALDH1A1CYP3A4MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US 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 TDP1 3953/4885ALDH1A1 1820/4885CYP3A4 3320/4885

“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.