SCHEMBL4190958

SCHEMBL4190958

CC(C)(C)c1ccc(-n2ccc(C=[N])c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
AMY1A P0DUB6 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.32
TYR P14679 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
DRD1 P21728 1/20 0.32
DRD3 P35462 1/20 0.32
CCR2 P41597 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL5181370 0.70 ESRRG (0.45) LMNAMAPTHPGDNPC1RAB9A
SCHEMBL5181374 0.70 ESRRG (0.45) LMNAMAPTHPGDNPC1RAB9A
SCHEMBL10296074 0.69 GAA (0.50) TSHRPMM2MPIPHOSPHO1CYP1A2
SCHEMBL19625423 0.66 NOTUM (0.40) CYP1A2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4118733 0.66 GRIA1 (0.46) MPIPHOSPHO1CYP1A2
SCHEMBL18125618 0.63 CYP2C9 (0.52) TSHRAMY1APKMCYP1A2LMNA
SCHEMBL9588255 0.62 MGLL (0.65) PKMLMNAALDH1A1TDP1NPSR1
SCHEMBL7016863 0.62 CYP2A6 (0.50) LMNAALDH1A1MAPTTDP1BLM
SCHEMBL270275 0.62 MAPT (0.58) TSHRCYP1A2LMNAALDH1A1MAPT
SCHEMBL424728 0.62 TSHR (0.73) TSHRCYP1A2LMNATYRALDH1A1

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 5 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-20090018183-A1 N-phenylpyrrole guanidine derivatives as melanocortin receptor ligands ACTION PHARMA A/S (DK) 2009-01-15 US disclosed
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 TSHR 32/4885PMM2 4600/4885MPI 4807/4885

“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.