SCHEMBL5834812

SCHEMBL5834812

COc1ccc(N)cc1-c1nc2cc(-c3ccc(F)c(Cl)c3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
RAB9A P51151 12/20 0.48
MAPT P10636 10/20 0.48
NPC1 O15118 10/20 0.48
TP53 P04637 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 2/20 0.48
HPSE Q9Y251 4/20 0.47
XBP1 P17861 1/20 0.46
HIF1A Q16665 1/20 0.46
GFER P55789 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
FYN P06241 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL5834163 0.89 HPSE (0.56) PTGS2RAB9AMAPTNPC1TP53
SCHEMBL5834669 0.86 HPSE (0.57) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL5834548 0.85 ALOX5 (0.51) PTGS2RAB9AMAPTNPC1TP53
SCHEMBL5834311 0.83 MAPT (0.53) PTGS2RAB9AMAPTNPC1TP53
SCHEMBL5834454 0.83 RAB9A (0.62) PTGS2RAB9AMAPTNPC1TP53
SCHEMBL5834836 0.83 RAB9A (0.60) PTGS2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5834195 0.82 RAB9A (0.51) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL5834936 0.81 RAB9A (0.56) PTGS2RAB9AMAPTNPC1TP53
SCHEMBL5834554 0.79 HPSE (0.61) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL25338098 0.79 ALOX5 (0.57) PTGS2RAB9AMAPTNPC1TP53

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
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 PTGS2 1244/4885RAB9A 1209/4885MAPT 1342/4885

“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.