SCHEMBL5202872

SCHEMBL5202872

COC(=O)c1c(CBr)c(-c2ccccc2)nc2cc3c(cc12)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
DHODH Q02127 2/20 0.46
PTGFR P43088 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5908880 0.94 KDM4E (0.48) HPGDKDM4EALDH1A1ATMMAPT
SCHEMBL5200915 0.86 DHODH (0.62) HPGDKDM4EALDH1A1ATMMAPT
SCHEMBL2372595 0.81 SMN1; SMN2 (0.54) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL5202474 0.79 TACR3 (0.59)
SCHEMBL5202656 0.76 PDE10A (0.63) HPGDTSHRDHODHPTGFRNPC1
SCHEMBL5908654 0.74 TACR3 (0.47) HPGDKDM4EALDH1A1ATMMEN1
SCHEMBL2373281 0.74 KDM4E (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4668037 0.74 TACR3 (0.53) MEN1KMT2ADHODHSMN1; SMN2PLA2G2A
SCHEMBL5203107 0.73 WHR1 (0.52) MEN1KMT2AL3MBTL1TSHRDHODH
SCHEMBL27729454 0.72 LMNA (0.53) HPGDKDM4EALDH1A1MAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO 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-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN HPGD 1933/4885KDM4E 3699/4885ALDH1A1 1675/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN HPGD 1933/4885KDM4E 3699/4885ALDH1A1 1675/4885

“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.