SCHEMBL5886412

SCHEMBL5886412

CS(=O)(=O)Nc1ccc2c(ccc3nc4cccc(C(=O)O)c4nc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 6/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C9 P11712 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
KDM1A O60341 2/20 0.44
MET P08581 3/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP3A4 P08684 5/20 0.42
TSHR P16473 4/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 2/20 0.42
KCNH2 Q12809 2/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
SLC22A1 O15245 1/20 0.42
ABCC4 O15439 1/20 0.42

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
SCHEMBL5886502 0.85 KDM4E (0.52) ALDH1A1CYP1A2KDM1ATP53HSD17B10
SCHEMBL5886274 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C9HSD17B10KMT2ARAD52
SCHEMBL5886384 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CASP1
SCHEMBL5886246 0.80 ALDH1A1 (0.51) ALDH1A1CYP2C9HSD17B10RAB9ALMNA
SCHEMBL5886389 0.80 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL5886269 0.79 ALDH1A1 (0.48) ALDH1A1GLARAB9ALMNAKDM4E
SCHEMBL5886363 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL5886283 0.78 ALDH1A1 (0.55) ALDH1A1CYP2C9CASP1CASP7CYP3A4
SCHEMBL5886371 0.77 KDM4E (0.52) ALDH1A1METHSD17B10RAB9ALMNA
SCHEMBL5886390 0.76 ALDH1A1 (0.68) ALDH1A1RAB9ALMNAKDM4ESMN1; SMN2

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-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
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP claimed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO 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 3766/4885CYP1A2 184/4885CYP2D6 121/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885CYP1A2 100/4885CYP2D6 14/4885

“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.