SCHEMBL5035296

SCHEMBL5035296

CCS(=O)(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3c(C#N)cc(Oc4ccc(OC)cc4)cc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.33
PGR P06401 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RET P07949 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PFKFB1 P16118 1/20 0.30
PFKFB3 Q16875 1/20 0.30
CFTR P13569 1/20 0.30
KDM1A O60341 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5033942 0.94 NPC1 (0.36) PGRRETPFKFB1PFKFB3HTT
SCHEMBL5034411 0.93 HRH2 (0.32) HRH2PGRRETPFKFB1PFKFB3
SCHEMBL5035303 0.86 CYP1A2 (0.32) CYP2D6
SCHEMBL4588828 0.85 HRH2 (0.32) HRH2HTT
SCHEMBL5037990 0.80 IRAK4 (0.32)
SCHEMBL4590194 0.74 IKBKB (0.46) HTR2AALDH1A1
SCHEMBL14031214 0.69 KMT2A (0.35) HRH2PGRHTR2AHTR2CHTR2B
SCHEMBL4590044 0.68 IKBKB (0.46) PFKFB1PFKFB3HTT
SCHEMBL4595720 0.67 IKBKB (0.45) HTR2A
SCHEMBL16610813 0.64 DGAT1 (0.30)

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-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA HRH2 270/4885PGR 3610/4885HTR2A 617/4885

“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.