SCHEMBL5834876

SCHEMBL5834876

COc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3cc4ccccc4o3)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 9/20 0.60
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
MAOB P27338 1/20 0.51
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
PTGS2 P35354 5/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.45
PPARG P37231 1/20 0.44
CETP P11597 1/20 0.43
CEPT1 Q9Y6K0 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
SCHEMBL5834694 0.87 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834735 0.85 RAB9A (0.54) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834561 0.84 NPC1 (0.57) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834597 0.83 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834699 0.83 MAPT (0.48) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834840 0.82 RAB9A (0.64) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834476 0.82 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834885 0.82 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5835030 0.82 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5834463 0.81 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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.