SCHEMBL4093359

SCHEMBL4093359

COc1cc(CNC(=O)O)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
AURKA O14965 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 2/20 0.42
PTGER2 P43116 2/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL12053409 0.89 DYRK1A (0.42) MAPTAURKAMEN1KMT2ATACR1
SCHEMBL4103863 0.88 TACR1 (0.44) KMT2ATACR1PTGER2TSHRCYP2D6
SCHEMBL4095280 0.86 TACR1 (0.44) AURKATACR1PTGER2
SCHEMBL3428477 0.83 CYP1A1 (0.42) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL1363225 0.82 TSHR (0.46) MEN1KMT2ATSHRLMNAHTT
SCHEMBL3395701 0.81 PLG (0.39) MAPTMEN1KMT2A
SCHEMBL3400376 0.81 MEN1 (0.50) MAPTAURKAMEN1KMT2ATACR1
SCHEMBL3398564 0.81 CHRM3 (0.41) TACR1PTGER2CYP1A2CYP2C19HTT
SCHEMBL4088107 0.80 PDCD1 (0.41) MEN1KMT2ATACR1NPC1RAB9A
SCHEMBL12140837 0.78 BRD4 (0.41) MAPTMEN1KMT2ATACR1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (2 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MAPT 4071/4885AURKA 2207/4885MEN1 3034/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MAPT 2271/4885AURKA 1974/4885MEN1 3908/4885

“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.