SCHEMBL6224258

SCHEMBL6224258

O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ FLT1 P17948 2/20 0.49
▸ FLT4 P35916 2/20 0.49
▸ KDR P35968 2/20 0.49
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ EIF4E P06730 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ DTYMK P23919 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44

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
SCHEMBL8375405 0.90 TDP1 (0.52) CYP3A4TSHRPOLBDTYMKCRHBP
SCHEMBL5384165 0.87 DTYMK (0.55) CYP1A2CYP3A4HPGDCYP2C19FLT1
SCHEMBL5193454 0.87 CRHBP (0.59) TSHRPOLBDTYMKCRHBPCRHR2
SCHEMBL17177737 0.86 DTYMK (0.49) CYP3A4TSHRPOLBDTYMKCRHBP
SCHEMBL535327 0.86 HPGD (0.58) CYP1A2CYP3A4HPGDCYP2C19FLT1
SCHEMBL12394318 0.86 DCLRE1B (0.56) CYP1A2CYP3A4HPGDCYP2C19FLT1
SCHEMBL6226628 0.86 EIF4E (0.48) EIF4EPOLBDTYMKMEN1MAPT
SCHEMBL8960342 0.85 ERN1 (0.57) TSHRPOLBDTYMKCRHBPCRHR2
Hydrochloric Acid SCHEMBL9650930 0.85 HPGD (0.57) CYP1A2CYP3A4HPGDCYP2C19FLT1
Formaldehyde SCHEMBL27611540 0.84 CRHBP (0.56) EIF4ETSHRPOLBDTYMKCRHBP

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 CYP1A2 749/4885CYP3A4 1641/4885HPGD 3126/4885

“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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