SCHEMBL4784577

SCHEMBL4784577

CN(CC(=O)O)c1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
CDK2 P24941 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 3/20 0.44
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GRK6 P43250 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL4994251 0.89 MAPT (0.47) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL4985168 0.87 CDK2 (0.49) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL4781566 0.85 MAPT (0.44) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL4783739 0.82 MAPT (0.50) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL16215476 0.82 MAPT (0.57) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL4989156 0.78 MAPT (0.45) MAPTHPGDCDK2ALDH1A1POLB
SCHEMBL11412120 0.76 CDK2 (0.57) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL15521004 0.74 MAPT (0.52) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL959264 0.73 MAPT (0.61) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL11419219 0.73 MAPT (0.53) MAPTHPGDCDK2ALDH1A1MEN1

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R MAPT 1651/4885HPGD 730/4885CDK2 2227/4885

“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.