SCHEMBL5835166

SCHEMBL5835166

CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3cc4ccccc4s3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 9/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 1/20 0.39
CEPT1 Q9Y6K0 1/20 0.39

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
SCHEMBL5834856 0.86 HPSE (0.57) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834869 0.85 HPSE (0.46) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834309 0.84 RAB9A (0.47) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5835160 0.83 HPSE (0.46) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834173 0.82 RAB9A (0.46) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5835045 0.82 MMP2 (0.53) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834476 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834313 0.82 HPSE (0.45) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834135 0.82 HPSE (0.57) HPSERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834594 0.82 HPSE (0.57) HPSERAB9ANPC1SMN1; 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
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 HPSE 2626/4885RAB9A 1209/4885NPC1 2102/4885

“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.