SCHEMBL5886451

SCHEMBL5886451

O=C(O)c1cccc2nc3ccc4c(OCCO)cccc4c3nc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
NCF1 P14598 5/20 0.39
PIN1 Q13526 1/20 0.38
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38
PARP1 P09874 1/20 0.37
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL5886262 0.88 ALDH1A1 (0.47) ALDH1A1CNR2CNR1KDM4EKMT2A
SCHEMBL5886514 0.87 KDM4E (0.50) ALDH1A1KDM4EKMT2A
SCHEMBL5886382 0.85 PTGES (0.44) ALDH1A1CNR2CNR1KDM4EKMT2A
SCHEMBL5886241 0.85 HTR1B (0.49) ALDH1A1KDM4ENCF1CYBB
SCHEMBL5886500 0.85 KDM4E (0.52) ALDH1A1KDM4E
SCHEMBL5886291 0.85 ALDH1A1 (0.48) ALDH1A1KDM4E
SCHEMBL5886304 0.85 ALDH1A1 (0.51) ALDH1A1
SCHEMBL5886309 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2APARP1
SCHEMBL5886444 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL5886378 0.84 DHODH (0.49) ALDH1A1KDM4EKMT2A

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 7 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-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 3766/4885CNR2 26/4885CNR1 14/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885CNR2 1202/4885CNR1 510/4885

“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.