SCHEMBL5886286

SCHEMBL5886286

O=C(O)c1cccc2nc3ccc4c([N+](=O)[O-])cccc4c3nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5886494 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1POLBKDM4E
SCHEMBL5886240 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL5886331 0.79 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL5886249 0.79 ALDH1A1 (0.58) ALDH1A1POLBKDM4EMAPTHTT
SCHEMBL5886268 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5886290 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRTDP1POLB
SCHEMBL5886397 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5886301 0.79 ALDH1A1 (0.51) ALDH1A1TDP1ABCG2MAPT
SCHEMBL5886475 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4465790 0.77 TDP1 (0.67) ALDH1A1NCOA1NCOA3TSHRTDP1

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 3766/4885SMN1; SMN2 2495/4885NCOA1 78/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885SMN1; SMN2 2455/4885NCOA1 358/4885

“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.