SCHEMBL5886500

SCHEMBL5886500

NC(=O)COc1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
ACACA Q13085 2/20 0.38
OGG1 O15527 1/20 0.37
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
G6PD P11413 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GCGR P47871 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL5886291 0.88 ALDH1A1 (0.48) KDM4EHTTALDH1A1HPGDTDP1
SCHEMBL5886514 0.86 KDM4E (0.50) KDM4EHTTALDH1A1HPGDRAB9A
SCHEMBL5886451 0.85 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL5886294 0.84 CASP3 (0.52) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL5886304 0.84 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTNPC1
SCHEMBL5886262 0.83 ALDH1A1 (0.47) KDM4EALDH1A1RAB9APDE10ANPC1
SCHEMBL5886378 0.83 DHODH (0.49) KDM4EALDH1A1RAB9AGAANPC1
SCHEMBL5886444 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDTDP1RAB9A
SCHEMBL5886309 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDTDP1RAB9A
SCHEMBL5886271 0.82 ALDH1A1 (0.54) KDM4EHTTALDH1A1HPGDRAB9A

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-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
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 KDM4E 3704/4885HTT 2056/4885ALDH1A1 3766/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B KDM4E 1785/4885HTT 3503/4885ALDH1A1 2334/4885

“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.