SCHEMBL6283620

SCHEMBL6283620

C=CCN(C(C(=O)N1CCC(O)C1)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR5 P51681 9/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6283621 1.00 KMT2A (0.38) KMT2ATDP1KDM4ECCR5MEN1
SCHEMBL6280897 0.87 KMT2A (0.45) KMT2ATDP1KDM4EMEN1HTT
SCHEMBL6280894 0.87 KMT2A (0.45) KMT2ATDP1KDM4EMEN1HTT
SCHEMBL6282361 0.84 ALDH1A1 (0.35) KMT2ATDP1KDM4ECCR5ALDH1A1
SCHEMBL6282363 0.84 ALDH1A1 (0.35) KMT2ATDP1KDM4ECCR5ALDH1A1
SCHEMBL6280081 0.74 CYP3A4 (0.47) KMT2AMEN1HTTNPC1ALDH1A1
SCHEMBL6280085 0.74 CYP3A4 (0.47) KMT2AMEN1HTTNPC1ALDH1A1
SCHEMBL21575681 0.73 OPRK1 (0.57) KMT2AALDH1A1CYP2D6OPRK1
SCHEMBL16586048 0.71 KDM4E (0.47) KMT2ATDP1KDM4EMEN1NPSR1
SCHEMBL18171429 0.68 OPRK1 (0.47) CYP2D6OPRK1

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 KMT2A 4525/4885TDP1 2801/4885KDM4E 4146/4885

“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.