SCHEMBL6283183

SCHEMBL6283183

O=C(C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
THRB P10828 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6283185 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL6280081 0.85 CYP3A4 (0.47) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL6280085 0.85 CYP3A4 (0.47) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL6687929 0.83 CA1 (0.57) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL6287334 0.83 CA1 (0.57) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL13502396 0.79 THRB (0.48) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL6925536 0.75 CA1 (0.59) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL24964934 0.74 ADAMTS4 (0.42) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL11064560 0.72 CA1 (0.56) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL18965285 0.72 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852713-B2 Lactam derivatives and methods of their use ADOLOR CORPORATION (US) 2005-02-08 US disclosed
WO-2004093796-A2 LACTAM DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2004-11-04 WO disclosed
US-20040209857-A1 Lactam derivatives and methods of their use ADOLOR CORPORATION 2004-10-21 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-20040209857-A1 Lactam derivatives and methods of their use MRPL21, SI, PEPD ALDH1A1 618/4885KMT2A 4525/4885MEN1 1413/4885

“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.