SCHEMBL6225598

SCHEMBL6225598

COc1cccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.55
▸ EIF4E P06730 1/20 0.53
▸ ABCB1 P08183 2/20 0.52
▸ AKR1C3 P42330 5/20 0.51
▸ AKR1C2 P52895 5/20 0.51
▸ AKR1B10 O60218 2/20 0.51
▸ AKR1B1 P15121 2/20 0.51
▸ AKR1C4 P17516 2/20 0.51
▸ AKR1C1 Q04828 2/20 0.51
▸ DHODH Q02127 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL5194932 0.87 ABCB1 (0.52) EIF4EABCB1AKR1C3AKR1C2AKR1B10
SCHEMBL147187 0.84 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
Hydrochloric Acid SCHEMBL11773334 0.83 AKR1C3 (0.61) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL5193454 0.82 CRHBP (0.59) ABCB1MAPTTSHR
SCHEMBL8375405 0.82 TDP1 (0.52) ABCB1MAPTTSHR
SCHEMBL13890931 0.82 ALOX5 (0.43) FBP1EIF4EABCB1DHODHMAPT
SCHEMBL6225602 0.82 ABCB1 (0.50) FBP1EIF4EABCB1AKR1C3AKR1C2
SCHEMBL4405072 0.81 CYP1A2 (0.53) FBP1EIF4EABCB1NPC1CASP3
SCHEMBL4414605 0.81 FBP1 (0.49) FBP1EIF4EABCB1AKR1C3AKR1C2
SCHEMBL4414607 0.81 FBP1 (0.49) FBP1EIF4EABCB1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R FBP1 1388/4885EIF4E 1130/4885ABCB1 3544/4885

“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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