SCHEMBL5888030

SCHEMBL5888030

O=C(O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
GUSB P08236 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5888033 1.00 MEN1 (0.46) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL6418177 0.93 MEN1 (0.49) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL6418180 0.93 MEN1 (0.49) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL3808645 0.87 EPHX2 (0.49) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL3811563 0.87 TDP1 (0.53) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL3808644 0.87 EPHX2 (0.49) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL3810278 0.87 CTSL (0.47) TDP1ALDH1A1LMNASMN1; SMN2CTDSP1
SCHEMBL3811569 0.87 TDP1 (0.53) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL3810274 0.87 CTSL (0.47) TDP1ALDH1A1LMNASMN1; SMN2CTDSP1
SCHEMBL4101640 0.86 MEN1 (0.62) MEN1KMT2ATDP1ALDH1A1LMNA

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-7122683-B2 Amides useful as monoamine re-uptake inhibitors PFIZER INC. (US) 2006-10-17 US disclosed
US-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2006-05-25 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-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting ADRB3, AOC3, HRH4 MEN1 3948/4885KMT2A 3211/4885TDP1 4531/4885

“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.