SCHEMBL2129724

SCHEMBL2129724

COC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ PDE5A O76074 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL2129353 0.88 KMT2A (0.46) MAPTCNR1MEN1KMT2AALDH1A1
SCHEMBL31237109 0.83 MAPT (0.53) MAPTCNR1CNR2HIF1AMEN1
SCHEMBL2128489 0.80 MAPT (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL31237090 0.75 MAPT (0.59) MAPTHIF1AMEN1KMT2AALDH1A1
SCHEMBL3507466 0.75 MAPT (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL31237013 0.73 HIF1A (0.45) MAPTCNR1CNR2HIF1AMEN1
SCHEMBL31716760 0.73 MAPT (0.57) MAPTHIF1AMEN1KMT2AALDH1A1
SCHEMBL14165733 0.72 CNR1 (0.58) CNR1CNR2HIF1ALOXL2MAPK1
SCHEMBL22469948 0.72 MRGPRX4 (0.74) MAPTCNR1CNR2HIF1AMEN1
SCHEMBL29187351 0.71 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 — — EP disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — US disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 — — EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 — — 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-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 MAPT 3653/4885CNR1 180/4885CNR2 323/4885

“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.

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