SCHEMBL4783386

SCHEMBL4783386

CS(=O)(=O)C1CNCCN1c1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CSNK2A1 P68400 1/20 0.37
CNR2 P34972 2/20 0.37
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
MCHR1 Q99705 2/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL4783789 0.83 AXL (0.38) CSNK2A1CNR2HTR2ACDK2
SCHEMBL4783385 0.74 ALDH1A1 (0.54) MAPTHPGDCSNK2A1CNR2
SCHEMBL4799096 0.71 ALDH1A1 (0.46) MAPTHPGDCSNK2A1CNR2
SCHEMBL4781802 0.71 MAPT (0.50) MAPTHPGDCNR2
SCHEMBL2466571 0.69 MAPK1 (0.52) MAPTHPGD
SCHEMBL6152580 0.69 MAPT (0.56) MAPTHPGDCSNK2A1CNR2CDK2
SCHEMBL4785656 0.68 LMNA (0.54) MAPTHPGDCNR2
SCHEMBL4003944 0.66 CDK2 (0.53) MAPTHPGDCSNK2A1CNR2MCHR1
SCHEMBL22445861 0.65 MAPT (0.47) MAPTHPGDCSNK2A1CNR2MCHR1
SCHEMBL3370857 0.65 MAPT (0.61) MAPTHPGDCNR2CDK2

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 2 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
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 730/4885CSNK2A1 1695/4885

“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.