SCHEMBL5834161

SCHEMBL5834161

CCCNc1ccc(N)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 11/20 0.59
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 7/20 0.50
TP53 P04637 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 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
SCHEMBL5834484 0.91 MAPT (0.54) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834486 0.91 HPSE (0.61) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834258 0.91 HPSE (0.59) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834554 0.90 HPSE (0.61) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834442 0.90 HPSE (0.59) HPSENPC1RAB9AMAPTTP53
SCHEMBL5835189 0.89 RAB9A (0.53) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834390 0.87 HPSE (0.61) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834229 0.87 HPSE (0.60) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834754 0.84 HPSE (0.61) HPSENPC1RAB9AMAPTTP53
SCHEMBL5834630 0.84 HPSE (0.62) HPSENPC1RAB9AMAPTTP53

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 2626/4885NPC1 2102/4885RAB9A 1209/4885

“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.