SCHEMBL1180032

SCHEMBL1180032

COC(=O)c1cccc(CNc2ccc(OC)cc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ HIF1A Q16665 1/20 0.51
▸ PPM1D O15297 2/20 0.49
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ SLC7A5 Q01650 1/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL31072837 0.90 HDAC8 (0.57) HIF1AHDAC8KDM4EALDH1A1NPC1
SCHEMBL31237125 0.85 MRGPRX4 (0.57) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL14420824 0.85 LOXL2 (0.58) LOXL2HIF1APPM1DCYP4F2CYP4A11
SCHEMBL12004538 0.84 GAA (0.54) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1180504 0.81 MAPT (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15687652 0.81 CA1 (0.61) LOXL2HIF1APPM1DHDAC8KDM4E
SCHEMBL15761718 0.81 HIF1A (0.70) LOXL2HIF1ACYP4F2CYP4A11HDAC8
SCHEMBL8037982 0.81 KDM4E (0.54) LOXL2HIF1APPM1DKDM4EALDH1A1
SCHEMBL23641246 0.80 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL15761745 0.80 HIF1A (0.65) LOXL2HIF1ACYP4F2CYP4A11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 — — US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 — — US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 — — US disclosed
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 — — EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 — — WO disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 — — 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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 LOXL2 3933/4885HIF1A 2172/4885PPM1D 4414/4885

“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.

Send feedback