SCHEMBL4176725

SCHEMBL4176725

[N]=CCCc1cccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAD52 P43351 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
SCHEMBL29198655 0.89 KMT2A (0.46) KMT2AHCAR1ALDH1A1PTGS1PTGS2
SCHEMBL4184410 0.79 PTGS1 (0.37) ALDH1A1PTGS1PTGS2HPGDGAA
SCHEMBL5181400 0.77 ALDH1A1 (0.37) KMT2AALDH1A1HTTLMNAMEN1
SCHEMBL5741439 0.76 PTGS1 (0.62) KMT2AHCAR1ALDH1A1PTGS1PTGS2
SCHEMBL1321811 0.71 KMT2A (0.74) KMT2AHCAR1ALDH1A1HTTGAA
SCHEMBL27814208 0.68 ALDH1A1 (0.47) KMT2AHCAR1ALDH1A1HTTHPGD
SCHEMBL30910850 0.68 KMT2A (0.57) KMT2AHCAR1ALDH1A1HTTHPGD
SCHEMBL30910853 0.68 KMT2A (0.57) KMT2AHCAR1ALDH1A1HTTHPGD
SCHEMBL30910852 0.68 KMT2A (0.57) KMT2AHCAR1ALDH1A1HTTHPGD
SCHEMBL13303553 0.67 KMT2A (0.46) KMT2AHCAR1ALDH1A1HTTLMNA

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 KMT2A 2311/4885HCAR1 222/4885ALDH1A1 3755/4885

“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.

Send feedback