SCHEMBL5834657

SCHEMBL5834657

COc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
MAPT P10636 4/20 0.55
ALDH1A1 P00352 1/20 0.55
PTGS2 P35354 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
PPARG P37231 1/20 0.47
UTRN P46939 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 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
SCHEMBL5834597 0.88 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834694 0.88 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5835030 0.87 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834788 0.86 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834496 0.84 NPC1 (0.58) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834836 0.83 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834840 0.83 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1PTGS2
SCHEMBL5834195 0.83 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL16894054 0.82 RAB9A (0.69) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5835131 0.82 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1PTGS2

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 RAB9A 1209/4885NPC1 2102/4885MAPT 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.