SCHEMBL2129353

SCHEMBL2129353

COC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ DCTPP1 Q9H773 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL2129724 0.88 MAPT (0.50) KMT2AMAPTALDH1A1GAACNR1
SCHEMBL2129386 0.78 LMNA (0.44) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL15997316 0.74 CA1 (0.68) KMT2AMAPTMEN1POLBCA1
SCHEMBL29187351 0.74 MEN1 (0.46) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL5361493 0.74 MAPT (0.70) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL11541401 0.73 GLA (0.46) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL31716760 0.73 MAPT (0.57) KMT2ANPC1MAPTALDH1A1GAA
SCHEMBL18207256 0.72 TLR7 (0.61) KMT2AMAPTALDH1A1CNR1DCTPP1
SCHEMBL4537985 0.71 MAPT (0.62) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL31237109 0.71 MAPT (0.53) KMT2ANPC1MAPTCNR1MEN1

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 KMT2A 2614/4885NPC1 85/4885RAB9A 2880/4885

“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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