SCHEMBL5886444

SCHEMBL5886444

N#CCOc1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 4/20 0.36
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
RAD52 P43351 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTGES O14684 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL5886309 0.89 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL5886382 0.88 PTGES (0.44) ALDH1A1KDM4EKMT2APTGES
SCHEMBL5886514 0.85 KDM4E (0.50) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL5886451 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL5886304 0.83 ALDH1A1 (0.51) ALDH1A1NPC1RAB9A
SCHEMBL5886500 0.83 KDM4E (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL5886291 0.83 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL5886262 0.82 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKDM4ERAD52
SCHEMBL5886378 0.82 DHODH (0.49) ALDH1A1NPC1RAB9AKDM4ERAD52
SCHEMBL5886271 0.81 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4EHPGD

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 8 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
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 3766/4885NPC1 287/4885RAB9A 1553/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885NPC1 2810/4885RAB9A 3378/4885

“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.