SCHEMBL1180504

SCHEMBL1180504

COC(=O)c1cccc(CNc2ccc(OC)cc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ AKR1C3 P42330 2/20 0.55
▸ AKR1C2 P52895 2/20 0.55
▸ AKR1B10 O60218 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ AKR1C4 P17516 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ FBP1 P09467 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL31072813 0.91 MAPT (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29342739 0.91 MAPT (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31237090 0.87 MAPT (0.59) MAPTSMN1; SMN2AKR1C3AKR1C2AKR1C4
SCHEMBL12004226 0.85 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2130528 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL25968280 0.83 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL30984081 0.83 MAPT (0.57) MAPTNPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL15687598 0.82 POLB (0.61) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8024498 0.82 MAPT (0.53) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL6044783 0.82 MAPT (0.67) MAPTSMN1; SMN2AKR1C3AKR1C2AKR1B10

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 MAPT 4267/4885NPC1 144/4885SMN1; SMN2 4851/4885

“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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