SCHEMBL3023923

SCHEMBL3023923

O=C(NCc1ccc(Cl)c(Oc2cc(Cl)cc(C3CC3)c2)c1F)c1[nH]cnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 2/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
CASP6 P55212 1/20 0.31
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
RORC P51449 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
SCHEMBL13982329 0.92 PTGES (0.34) PTGESLMNAEPHX2CASP6
SCHEMBL3034617 0.90 CYP3A4 (0.40) PTGESCYP3A4LMNAEPHX2P2RX7
SCHEMBL13982082 0.86 LMNA (0.36) PTGESCYP3A4LMNAEPHX2ROCK2
SCHEMBL3038717 0.86 CYP3A4 (0.36) PTGESCYP3A4LMNAROCK2ROCK1
SCHEMBL3024034 0.86 LMNA (0.36) PTGESCYP3A4LMNAEPHX2ROCK2
SCHEMBL3032864 0.85 CYP3A4 (0.40) PTGESCYP3A4LMNAROCK2ROCK1
SCHEMBL13238253 0.85 LMNA (0.36) PTGESCYP3A4LMNAEPHX2ROCK2
SCHEMBL3023108 0.85 CYP3A4 (0.39) PTGESCYP3A4LMNA
SCHEMBL3029298 0.84 LMNA (0.37) PTGESCYP3A4LMNAROCK2ROCK1
SCHEMBL3023587 0.84 CYP3A4 (0.49) PTGESCYP3A4LMNAEPHX2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 PTGES 988/4885CYP3A4 169/4885LMNA 3251/4885

“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.