SCHEMBL5886378

SCHEMBL5886378

CC(C)COc1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
ALDH1A1 P00352 1/20 0.47
ELANE P08246 1/20 0.39
TLR8 Q9NR97 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PTGER1 P34995 1/20 0.38
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AGER Q15109 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
RAD52 P43351 1/20 0.35

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
SCHEMBL5886514 0.87 KDM4E (0.50) ALDH1A1KDM4EHIF1ANPC1RAB9A
SCHEMBL5886291 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL5886262 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL5886451 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL5886271 0.83 ALDH1A1 (0.54) DHODHALDH1A1KDM4EHIF1ANPC1
SCHEMBL5886304 0.83 ALDH1A1 (0.51) DHODHALDH1A1PTGER1NPC1RAB9A
SCHEMBL5886500 0.83 KDM4E (0.52) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL5886309 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL5886444 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL5886382 0.81 PTGES (0.44) 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 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 DHODH 3177/4885ALDH1A1 3766/4885ELANE 3818/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B DHODH 535/4885ALDH1A1 2334/4885ELANE 3131/4885

“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.