SCHEMBL6683971

SCHEMBL6683971

CC(=O)C1=C(C)NC(=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADORA2B P29275 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
SCHEMBL6713558 0.79 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL6715576 0.78 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6713491 0.77 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL6318892 0.70 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL6898111 0.70 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7162576 0.69 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6193641 0.69 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6715316 0.66 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6313477 0.64 KDM4E (0.49) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL15874587 0.63 KMT2A (0.60) ALDH1A1HPGDMEN1KMT2AGAA

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
WO-2004064774-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-08-05 WO disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R CACNA1F 3536/4885CACNA1D 3176/4885CACNA1S 3415/4885

“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.