SCHEMBL5915136

SCHEMBL5915136

CCCCCCSc1nc(Cc2ccc(OC)cc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
CYP2E1 P05181 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2C8 P10632 5/20 0.51
CYP2D6 P10635 5/20 0.51
CYP2C9 P11712 5/20 0.51
CYP2B6 P20813 5/20 0.51
CYP2C19 P33261 5/20 0.51
PTGES O14684 2/20 0.46
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G7 Q13093 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL5915139 0.85 GPR84 (0.39) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915172 0.83 ALDH1A1 (0.38) CYP3A4MAPTGPR84
SCHEMBL4192105 0.79 CYP1A2 (0.41) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL4027604 0.78 CTSB (0.55) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915134 0.77 GPR84 (0.41) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915188 0.77 NPC1 (0.47) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915225 0.74 GPR84 (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4201055 0.74 CYP1A2 (0.53) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915168 0.74 NPC1 (0.42) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5915166 0.73 GPR84 (0.43) MAPTNPC1RAB9AGPR84

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 2 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
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.