SCHEMBL6599716

SCHEMBL6599716

Brc1cccc(-c2nc[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 1/20 0.44
ESR2 Q92731 1/20 0.44
TGFBR1 P36897 6/20 0.43
MAPK14 Q16539 3/20 0.43
ACVR1B P36896 3/20 0.43
RIPK2 O43353 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 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
SCHEMBL6603473 0.87 TGFBR1 (0.58) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL6600949 0.82 RAB9A (0.54) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL6598082 0.81 ADORA2A (0.44) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL6601316 0.80 TGFBR1 (0.50) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL30139863 0.77 TGFBR1 (0.64) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5930906 0.76 SNCA (0.46) SNCARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL15188295 0.75 TGFBR1 (0.57) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL30203691 0.75 SNCA (0.70) SNCARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6600529 0.75 MAPK14 (0.54) KDM4EMAPTTGFBR1MAPK14MAPK13
SCHEMBL30139850 0.74 TGFBR1 (0.54) RAB9AKDM4ENPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349851-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-20040039198-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
EP-1349851-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-08 EP disclosed
WO-2002040468-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 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 (1 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-20040039198-A1 Compounds SMAD3, SMAD2, TGFBR1 SNCA 4760/4885RAB9A 4645/4885KDM4E 625/4885

“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.