SCHEMBL4355607

SCHEMBL4355607

CN(C)c1ccc(Cc2n[nH]c(SCc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
DAO P14920 2/20 0.44
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKX P51817 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SGK2 Q9HBY8 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
HPGD P15428 1/20 0.37
CREBBP Q92793 1/20 0.37
XDH P47989 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
SCHEMBL5915210 0.89 GAA (0.43) DAORAB9ATDP1ALDH1A1CYP3A4
SCHEMBL4206038 0.88 DAO (0.50) METAP2DAORAB9ATSHRNPC1
SCHEMBL4347155 0.83 TDP1 (0.36) METAP2DAOTDP1ALDH1A1CYP3A4
SCHEMBL5915165 0.83 ALDH1A1 (0.36) METAP2DAOTDP1ALDH1A1CYP3A4
SCHEMBL4033493 0.83 CTSB (0.52) METAP2DAORAB9AALDH1A1CYP3A4
SCHEMBL5915146 0.82 METAP2 (0.39) METAP2RAB9ATDP1ALDH1A1CYP3A4
SCHEMBL5915142 0.82 MAPT (0.39) METAP2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL4027604 0.82 CTSB (0.55) METAP2RAB9ATDP1ALDH1A1CYP3A4
SCHEMBL5915140 0.80 TDP1 (0.36) RAB9ATDP1ALDH1A1CYP3A4TSHR
SCHEMBL5915177 0.79 TDP1 (0.35) RAB9ATDP1ALDH1A1CYP3A4TSHR

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 METAP2 1/4885DAO 196/4885RAB9A 1333/4885

“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.