SCHEMBL4186688

SCHEMBL4186688

[N]=CCc1cccn1-c1ccc(-n2cccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 1/20 0.39
▸ ELOC Q15369 1/20 0.39
▸ ELOB Q15370 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ AOC2 O75106 2/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL5180712 0.71 AOC2 (0.35) VHLELOCELOBKDM4EPOLB
SCHEMBL5180710 0.71 AOC2 (0.35) VHLELOCELOBKDM4EPOLB
SCHEMBL4190168 0.67 KDM4E (0.42) KDM4EGAAL3MBTL1RAB9AALDH1A1
SCHEMBL13947943 0.66 ATM (0.53) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL27844895 0.61 VHL (0.55) VHLELOCELOBKDM4EGAA
SCHEMBL20319186 0.60 VHL (0.67) VHLELOCELOBKDM4EGAA
SCHEMBL6187268 0.58 RAPGEF4 (0.50) KDM4EGAAPOLBRAB9AALDH1A1
SCHEMBL8129211 0.58 KDM4E (0.50) KDM4EGAAL3MBTL1ALDH1A1MEN1
SCHEMBL44284 0.57 KDM4E (0.50) VHLELOCELOBKDM4EGAA
SCHEMBL6632204 0.57 TAAR1 (0.45) KDM4EGAAALDH1A1MEN1KMT2A

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 4 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
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

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-20090018183-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands MC1R, MC5R, MC3R VHL 1931/4885ELOC 3614/4885ELOB 4158/4885

“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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