SCHEMBL4184410

SCHEMBL4184410

[N]=CCCc1cccn1-c1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL4176725 0.79 KMT2A (0.41) PTGS1PTGS2ALDH1A1CYP1A2HPGD
SCHEMBL4190168 0.77 KDM4E (0.42) PTGS1PTGS2ALDH1A1CYP1A2CYP2D6
SCHEMBL5180770 0.74 KDM4E (0.34) PTGS1PTGS2KDM4EGAA
SCHEMBL5180767 0.74 KDM4E (0.34) PTGS1PTGS2KDM4EGAA
SCHEMBL7971125 0.61 KDM4E (0.47) IDO1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL27986571 0.61 TDP1 (0.46) PTGS1PTGS2IDO1ALDH1A1CYP1A2
SCHEMBL2050250 0.57 IDO1 (0.57) IDO1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL5544435 0.57 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10
SCHEMBL2410450 0.57 TRAP1 (0.50) IDO1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL18612923 0.55 IDO1 (0.55) IDO1ALDH1A1CYP1A2CYP2D6HPGD

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 PTGS1 1289/4885PTGS2 2082/4885IDO1 804/4885

“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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