SCHEMBL4344773

SCHEMBL4344773

CN(C)c1ccc(Cc2n[nH]c(SCC3CCCCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
METAP2 P50579 8/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSB P07858 3/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCC1 P33527 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL5915196 0.84 METAP2 (0.50) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL4201055 0.84 CYP1A2 (0.53) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL4195389 0.78 METAP2 (0.42) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL4355607 0.76 METAP2 (0.45) DAOMETAP2CYP3A4ALDH1A1TSHR
SCHEMBL5915194 0.75 METAP2 (0.49) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL5915210 0.75 GAA (0.43) DAOCYP3A4CTSBALDH1A1TSHR
SCHEMBL5915151 0.73 DAO (0.40) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL5915167 0.73 METAP2 (0.44) DAOMETAP2CYP3A4CYP1A2CYP2E1
SCHEMBL4347155 0.72 TDP1 (0.36) DAOMETAP2CYP3A4ALDH1A1TSHR
SCHEMBL5915142 0.71 MAPT (0.39) METAP2CYP3A4CYP1A2CYP2D6CYP2C9

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 DAO 196/4885METAP2 1/4885CYP3A4 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.