SCHEMBL4192105

SCHEMBL4192105

CCCCCCSc1nc(Cc2ccccc2OC)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C19 P33261 3/20 0.41
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 6/20 0.38
KDM1A O60341 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
XDH P47989 1/20 0.36
GPR84 Q9NQS5 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
SCHEMBL5915225 0.84 GPR84 (0.40) SMN1; SMN2GAANPC1RAB9AXDH
SCHEMBL5915136 0.79 CYP1A2 (0.51) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL4205435 0.77 CTSB (0.46) ARSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5915166 0.76 GPR84 (0.43) SMN1; SMN2NPC1RAB9AXDHGPR84
SCHEMBL5915205 0.76 NPC1 (0.54) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915167 0.75 METAP2 (0.44) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL4198086 0.75 SMN1; SMN2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19AR
SCHEMBL5915170 0.74 SMN1; SMN2 (0.41) ARSMN1; SMN2KDM1AGAAHSD17B10
SCHEMBL4199893 0.74 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5915159 0.74 TDP1 (0.42) ARSMN1; SMN2KDM1AGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
JP-2005506299-A 2005-03-03 JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US 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 CYP1A2 2772/4885CYP2E1 4041/4885CYP3A4 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.