SCHEMBL12733342

SCHEMBL12733342

N#Cc1ccc(N2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.61
ALDH1A1 P00352 10/20 0.61
HTT P42858 1/20 0.61
HPGD P15428 2/20 0.58
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 3/20 0.56
CYP2C9 P11712 2/20 0.55
VCAM1 P19320 1/20 0.53
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 2/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4301297 0.98 MAPT (0.59) MAPTALDH1A1HTTHPGDCYP1A2
SCHEMBL5236395 0.88 HPGD (0.62) MAPTALDH1A1HTTHPGDCYP1A2
SCHEMBL82777 0.86 MAPT (0.60) MAPTALDH1A1HTTHPGDL3MBTL1
SCHEMBL1114152 0.86 MAPT (0.60) MAPTALDH1A1HTTHPGDCYP1A2
SCHEMBL16318379 0.82 VCAM1 (0.50) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL16318378 0.82 VCAM1 (0.50) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL10058378 0.81 LMNA (0.46) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL25855470 0.81 HPGD (0.73) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL12733348 0.80 VCAM1 (0.45) MAPTALDH1A1HTTHPGDCYP1A2
SCHEMBL27957502 0.78 HPGD (0.64) MAPTALDH1A1HPGDCYP1A2CYP2C19

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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 MAPT 4404/4885ALDH1A1 4380/4885HTT 2285/4885

“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.