SCHEMBL5194932

SCHEMBL5194932

COc1ccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ AKR1C3 P42330 6/20 0.51
▸ AKR1C2 P52895 6/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ EIF4E P06730 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL147187 0.88 AKR1C3 (0.63) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL6225598 0.87 FBP1 (0.55) ABCB1AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL5192816 0.87 KDM4E (0.52) ABCB1SMN1; SMN2AKR1C3AKR1C2AKR1B10
Hydrochloric Acid SCHEMBL11773334 0.86 AKR1C3 (0.61) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL8375405 0.86 TDP1 (0.52) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL6225779 0.83 MCL1 (0.54) ABCB1SMN1; SMN2AKR1C2AKR1C1MAPT
SCHEMBL5193454 0.83 CRHBP (0.59) ABCB1MAPTALDH1A1MAPK1MEN1
SCHEMBL17177737 0.82 DTYMK (0.49) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL8960342 0.81 ERN1 (0.57) ABCB1MAPTMEN1KMT2ALMNA
SCHEMBL1663978 0.81 ALDH1A1 (0.54) ABCB1SMN1; SMN2MAPTALDH1A1MAPK1

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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 — — EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 — — WO disclosed
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 — — EP disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 — — US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 — — 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 (2 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ABCB1 1072/4885SMN1; SMN2 2240/4885AKR1C3 1531/4885
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R ABCB1 3544/4885SMN1; SMN2 3130/4885AKR1C3 1143/4885

“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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