SCHEMBL5834702

SCHEMBL5834702

NCCCNc1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ELANE P08246 5/20 0.47
DDAH1 O94760 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
PCSK9 Q8NBP7 1/20 0.42

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
SCHEMBL4686908 0.90 NPC1 (0.55) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL30583373 0.84 POLB (0.51) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL18013093 0.84 ELANE (0.65) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL5139452 0.83 ELANE (0.64) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL4720033 0.80 ELANE (0.48) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL1990188 0.80 KDM4E (0.53) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL18013087 0.80 ELANE (0.63) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL25056911 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PKMNPSR1
SCHEMBL4720030 0.79 ELANE (0.47) NPC1RAB9ASMN1; SMN2PKMNPSR1
Hydrochloric Acid SCHEMBL29437078 0.78 FBP1 (0.42) NPC1RAB9ASMN1; SMN2ELANEMAPT

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 NPC1 2102/4885RAB9A 1209/4885SMN1; SMN2 3147/4885

“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.