SCHEMBL5886237

SCHEMBL5886237

COc1cccc2c1ccc1nc3c(C)ccc(C(=O)O)c3nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
PDE10A Q9Y233 1/20 0.44
CDC25B P30305 2/20 0.43
MAPT P10636 4/20 0.40
POLB P06746 4/20 0.40
NQO2 P16083 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
DHODH Q02127 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL5886271 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886455 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886319 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886284 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886247 0.78 CA12 (0.51) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886379 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886404 0.76 CA12 (0.45) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL5886266 0.75 CA12 (0.44) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL7566595 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5886260 0.74 KMT2A (0.51) ALDH1A1KDM4EHSD17B10MAPTPOLB

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 ALDH1A1 3766/4885KDM4E 3704/4885HPGD 2321/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885KDM4E 1785/4885HPGD 1666/4885

“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.