SCHEMBL5886246

SCHEMBL5886246

O=C(O)c1cccc2nc3ccc4cc(S(=O)(=O)Cl)ccc4c3nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PTPN1 P18031 1/20 0.38
RAD52 P43351 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATIC P31939 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5886389 0.88 ALDH1A1 (0.51) ALDH1A1PTPN1MEN1KMT2AKDM4E
SCHEMBL5886269 0.84 ALDH1A1 (0.48) ALDH1A1RAD52MEN1KMT2ARAB9A
SCHEMBL5886274 0.84 ALDH1A1 (0.48) ALDH1A1RAD52MEN1KMT2AHSD17B10
SCHEMBL5886363 0.82 ALDH1A1 (0.56) ALDH1A1PTPN1MEN1KMT2AKDM4E
SCHEMBL5886283 0.81 ALDH1A1 (0.55) ALDH1A1PTPN1RAD52MEN1KMT2A
SCHEMBL5886412 0.80 ALDH1A1 (0.48) ALDH1A1RAD52MEN1KMT2ARAB9A
SCHEMBL5886314 0.80 ALDH1A1 (0.54) ALDH1A1RAD52MEN1KMT2AKDM4E
SCHEMBL5886494 0.79 ALDH1A1 (0.50) ALDH1A1PTPN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5886390 0.78 ALDH1A1 (0.68) ALDH1A1RAD52MEN1KMT2ARAB9A
SCHEMBL5886502 0.78 KDM4E (0.52) ALDH1A1RAD52MEN1KMT2ARAB9A

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-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 3766/4885PTPN1 2732/4885RAD52 2083/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885PTPN1 2375/4885RAD52 60/4885

“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.