SCHEMBL5181396

SCHEMBL5181396

N=C(N)N/N=C/CCc1cccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.37
▸ GAA P10253 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ LMNA P02545 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ PLAU P00749 1/20 0.33

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
SCHEMBL5181400 1.00 ALDH1A1 (0.37) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5180922 0.87 CRHBP (0.34) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5180767 0.83 KDM4E (0.34) GAAKDM4ESMN1; SMN2
SCHEMBL4179681 0.79 KDM4E (0.39) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL29198655 0.79 KMT2A (0.46) ALDH1A1GAAKMT2AMEN1LMNA
Resomelagon SCHEMBL23716726 0.77 ALDH1A1 (0.43) ALDH1A1GAAKMT2AMEN1LMNA
Resomelagon SCHEMBL30084728 0.77 ALDH1A1 (0.43) ALDH1A1GAAKMT2AMEN1LMNA
Resomelagon SCHEMBL12123680 0.77 ALDH1A1 (0.43) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL4176725 0.77 KMT2A (0.41) ALDH1A1GAAKMT2AMEN1LMNA
Resomelagon SCHEMBL30064309 0.76 ALDH1A1 (0.42) ALDH1A1GAAKMT2AMEN1LMNA

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
EP-1414440-B1 N-PHENYLPYRROLE GUANIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR LIGANDS ACTION PHARMA AS (DK) 2007-01-10 — — EP claimed
US-20060148798-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2006-07-06 — — US claimed
EP-1414440-A1 N-PHENYLPYRROLE GUANIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2004-05-06 — — EP claimed
WO-2003013509-A1 N-PHENYLPYRROLE GUANIDINE DERIVATIVES AS MELANOCORTIN RECEPTION LIGANDS MELACURE THERAPEUTICS AB (SE) 2003-02-20 — — WO claimed
EP-1414440-B1 N-PHENYLPYRROLE GUANIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR LIGANDS ACTION PHARMA AS (DK) 2007-01-10 — — EP disclosed
US-20060148798-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2006-07-06 — — US 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-20060148798-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands MC1R, MC5R, MC3R ALDH1A1 3755/4885GAA 3366/4885KMT2A 2311/4885

“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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