SCHEMBL4179681

SCHEMBL4179681

N=C(N)N/N=C/CCc1cccn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4179685 1.00 KDM4E (0.39) KDM4EALDH1A1TSHRGAASMN1; SMN2
SCHEMBL5180033 0.87 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5180028 0.87 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5180767 0.84 KDM4E (0.34) KDM4EGAASMN1; SMN2
SCHEMBL5181400 0.79 ALDH1A1 (0.37) KDM4EALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5181396 0.79 ALDH1A1 (0.37) KDM4EALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5180841 0.78 MTNR1A (0.34) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5180710 0.77 AOC2 (0.35) KDM4EALDH1A1TSHRLMNAPOLB
SCHEMBL5180712 0.77 AOC2 (0.35) KDM4EALDH1A1TSHRLMNAPOLB
SCHEMBL5180922 0.76 CRHBP (0.34) KDM4EALDH1A1GAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018183-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2009-01-15 — — US claimed
US-7442807-B2 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2008-10-28 — — US claimed
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
US-7442807-B2 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2008-10-28 — — US disclosed
US-7186748-B2 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2007-03-06 — — US disclosed
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 (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-20090018183-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands MC1R, MC5R, MC3R KDM4E 1441/4885ALDH1A1 3755/4885TSHR 32/4885
US-20060148798-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands MC1R, MC5R, MC3R KDM4E 1441/4885ALDH1A1 3755/4885TSHR 32/4885

“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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