SCHEMBL4187641

SCHEMBL4187641

COc1ccc(Cc2n[nH]c(SCc3ccc(C)s3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MPI P34949 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
COMT P21964 1/20 0.40
LMNA P02545 2/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5915185 0.86 DAO (0.37) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL5915140 0.84 TDP1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5915149 0.82 NPC1 (0.43) ALDH1A1KDM4EMPIAPOBEC3GNPC1
SCHEMBL5915170 0.80 SMN1; SMN2 (0.41) ALDH1A1KDM4EAPOBEC3GLMNASMN1; SMN2
SCHEMBL4027604 0.80 CTSB (0.55) ALDH1A1KDM4ELMNAMMP13NPC1
SCHEMBL4194561 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL5915188 0.79 NPC1 (0.47) LMNAMMP13NPC1RAB9ASMN1; SMN2
SCHEMBL5915137 0.79 LMNA (0.39) ALDH1A1KDM4EMPIAPOBEC3GCOMT
SCHEMBL5915168 0.78 NPC1 (0.42) ALDH1A1KDM4EMPIAPOBEC3GCOMT
SCHEMBL5915190 0.77 ALDH1A1 (0.42) ALDH1A1APOBEC3GNPC1RAB9ASMN1; SMN2

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 ALDH1A1 1820/4885KDM4E 1184/4885MPI 911/4885

“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.