SCHEMBL2128489

SCHEMBL2128489

COC(=O)c1cccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ CSF1R P07333 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KLF5 Q13887 1/20 0.39

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
SCHEMBL2129386 0.89 LMNA (0.44) MAPTNR1H4ALDH1A1MEN1KMT2A
SCHEMBL2131027 0.83 CSF1R (0.46) MAPTCSF1RNR1H4ALDH1A1LOXL2
SCHEMBL2128455 0.83 CSF1R (0.48) MAPTCSF1RNR1H4ALDH1A1LOXL2
SCHEMBL2129724 0.80 MAPT (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3507466 0.74 MAPT (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4490305 0.72 LOXL2 (0.52) MAPTCSF1RALDH1A1POLBLOXL2
SCHEMBL6755746 0.72 POLB (0.53) MAPTALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL2129436 0.71 CSF1R (0.43) MAPTCSF1RNR1H4ALDH1A1MEN1
SCHEMBL2131238 0.71 CSF1R (0.43) MAPTCSF1RNR1H4ALDH1A1MEN1
SCHEMBL28778797 0.71 L3MBTL1 (0.43) MAPTALDH1A1MEN1KMT2APOLB

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
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
CN-101511813-A Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG (DE) 2009-08-19 — — CN 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 3653/4885CSF1R 1020/4885NR1H4 1/4885

“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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