SCHEMBL6834580

SCHEMBL6834580

Cc1c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)csc1C(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
OPRK1 P41145 1/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 3/20 0.47
MCHR1 Q99705 1/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 2/20 0.43
USP2 O75604 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6814190 0.85 MCHR1 (0.47) OPRK1KMT2AMEN1MCHR1PDK1
SCHEMBL6834099 0.83 PRSS12 (0.42) KMT2AMEN1MAPT
SCHEMBL6819580 0.77 ACHE (0.38) ACHEKMT2AMEN1
SCHEMBL4097117 0.76 RPA1 (0.55) KMT2AMEN1MAPT
SCHEMBL6818216 0.73 MAPT (0.49) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL6835804 0.71 RPA1 (0.46) KMT2AMEN1SMN1; SMN2MAPTMAPK1
SCHEMBL6818512 0.71 RPA1 (0.51) SMN1; SMN2MAPT
SCHEMBL6833237 0.71 RAB9A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4087296 0.70 RPA1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6835806 0.70 POLB (0.45) KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ACHE 3569/4885OPRK1 2049/4885KMT2A 2853/4885

“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.