SCHEMBL3024034

SCHEMBL3024034

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.34
AKR1B1 P15121 1/20 0.34
CASP6 P55212 1/20 0.33
PTGES O14684 4/20 0.32
DDR1 Q08345 1/20 0.32
TSHR P16473 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 2/20 0.31
KLKB1 P03952 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13982327 0.91 LMNA (0.33) LMNACYP3A4AKR1B1CASP6PTGES
SCHEMBL13217776 0.90 TLR8 (0.40) LMNAPTGESDDR1L3MBTL1EPHX2
SCHEMBL13982082 0.89 LMNA (0.36) LMNACYP3A4AKR1B1CASP6PTGES
SCHEMBL3038717 0.89 CYP3A4 (0.36) LMNACYP3A4CASP6PTGESROCK2
SCHEMBL3027916 0.89 CYP3A4 (0.42) LMNACYP3A4AKR1B1CASP6EPHX2
SCHEMBL13238253 0.88 LMNA (0.36) LMNACYP3A4CASP6PTGESTSHR
SCHEMBL3029298 0.88 LMNA (0.37) LMNACYP3A4PTGESDDR1ROCK2
SCHEMBL3032864 0.87 CYP3A4 (0.40) LMNACYP3A4CASP6PTGESTSHR
SCHEMBL3023587 0.87 CYP3A4 (0.49) LMNACYP3A4CASP6PTGESDDR1
SCHEMBL13238744 0.86 CYP3A4 (0.36) LMNACYP3A4PTGESRORC

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 5 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-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 LMNA 3251/4885CYP3A4 169/4885AKR1B1 726/4885

“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.