SCHEMBL5886265

SCHEMBL5886265

CN(C)S(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MCL1 Q07820 1/20 0.48
POLB P06746 3/20 0.42
RAD52 P43351 2/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
C1R P00736 1/20 0.38
PRSS1 P07477 1/20 0.38
EDNRA P25101 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.35
NR4A1 P22736 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
SCHEMBL5886349 0.86 ALDH1A1 (0.54) ALDH1A1RAD52EDNRAL3MBTL1ATM
SCHEMBL5886278 0.84 ALDH1A1 (0.54) ALDH1A1MCL1KMT2AKDM4EHSD17B10
SCHEMBL5886314 0.84 ALDH1A1 (0.54) ALDH1A1RAD52KMT2AKDM4EHSD17B10
SCHEMBL5886374 0.83 ALDH1A1 (0.50) ALDH1A1MCL1RAD52EDNRAL3MBTL1
SCHEMBL5886499 0.81 ALDH1A1 (0.57) ALDH1A1RAD52KMT2APRSS1NR4A1
SCHEMBL5886269 0.81 ALDH1A1 (0.48) ALDH1A1MCL1POLBRAD52KMT2A
SCHEMBL5886249 0.79 ALDH1A1 (0.58) ALDH1A1POLBRAD52KDM4EHSD17B10
SCHEMBL5886240 0.78 ALDH1A1 (0.59) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL5886342 0.77 ALDH1A1 (0.49) ALDH1A1RAD52KMT2AKDM4EMEN1
SCHEMBL5886290 0.77 ALDH1A1 (0.58) ALDH1A1POLBKMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US claimed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US claimed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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 (2 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A ALDH1A1 3766/4885MCL1 3993/4885POLB 3568/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885MCL1 2271/4885POLB 63/4885

“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.