SCHEMBL4027604

SCHEMBL4027604

COc1ccc(Cc2n[nH]c(SCc3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
KMT2A Q03164 2/20 0.53
RELA Q04206 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2E1 P05181 6/20 0.51
CYP2C8 P10632 6/20 0.51
CYP2D6 P10635 6/20 0.51
CYP2C9 P11712 6/20 0.51
CYP2B6 P20813 6/20 0.51
CYP2C19 P33261 6/20 0.51
METAP2 P50579 1/20 0.51
LTA4H P09960 1/20 0.50
CYP3A4 P08684 5/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL5915188 0.89 NPC1 (0.47) CTSBNPC1RAB9ANFKB1NFKB2
SCHEMBL4206038 0.88 DAO (0.50) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5915160 0.84 CYP1A2 (0.54) CTSBNPC1RAB9ANFKB1NFKB2
SCHEMBL5915168 0.83 NPC1 (0.42) CTSBNPC1RAB9ANFKB1NFKB2
SCHEMBL4033493 0.83 CTSB (0.52) CTSBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5915149 0.82 NPC1 (0.43) NPC1RAB9ANFKB1NFKB2KMT2A
SCHEMBL5915190 0.82 ALDH1A1 (0.42) CTSBNPC1RAB9ANFKB1NFKB2
SCHEMBL4355607 0.82 METAP2 (0.45) NPC1RAB9AMETAP2CYP3A4ALDH1A1
SCHEMBL4187641 0.80 ALDH1A1 (0.41) CTSBNPC1RAB9ANFKB1NFKB2
SCHEMBL5915137 0.79 LMNA (0.39) CTSBNPC1RAB9ANFKB1NFKB2

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 CTSB 91/4885NPC1 3549/4885RAB9A 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.