SCHEMBL6282361

SCHEMBL6282361

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CCR5 P51681 13/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6282363 1.00 ALDH1A1 (0.35) ALDH1A1MAPTCCR5KDM4EKMT2A
SCHEMBL6283620 0.84 KMT2A (0.38) ALDH1A1MAPTCCR5KDM4EKMT2A
SCHEMBL6283621 0.84 KMT2A (0.38) ALDH1A1MAPTCCR5KDM4EKMT2A
SCHEMBL6280897 0.81 KMT2A (0.45) ALDH1A1KDM4EKMT2ATDP1
SCHEMBL6280894 0.81 KMT2A (0.45) ALDH1A1KDM4EKMT2ATDP1
SCHEMBL6287343 0.72 HMOX1 (0.41) ALDH1A1KDM4E
SCHEMBL6287339 0.72 HMOX1 (0.41) ALDH1A1KDM4E
SCHEMBL19175459 0.71 KMT2A (0.52) MAPTKDM4EKMT2A
SCHEMBL2063027 0.70 ALDH1A1 (0.56) ALDH1A1KMT2A
SCHEMBL16586048 0.66 KDM4E (0.47) KDM4EKMT2ATDP1

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 618/4885MAPT 3817/4885CCR5 3276/4885

“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.