SCHEMBL4394130

SCHEMBL4394130

Cn1nnnc1N1CCC(NC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.50
▸ ALDH1A1 P00352 14/20 0.44
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4391286 0.82 CKS1B (0.42) HPGDSGAA
SCHEMBL3288584 0.77 HPGDS (0.49) HPGDS
SCHEMBL21774900 0.75 GAA (0.42) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL21774899 0.75 GAA (0.42) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL2072128 0.73 HPGDS (0.39) HPGDSALDH1A1GAANPSR1POLB
SCHEMBL2070535 0.72 HPGDS (0.36) HPGDSALDH1A1GAANPSR1POLB
SCHEMBL12142021 0.70 HPGDS (0.35) HPGDSALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL3524051 0.70 MAPT (0.38) HPGDSALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL2016562 0.69 KDM4E (0.49) ALDH1A1
SCHEMBL15404531 0.69 PAK1 (0.33) ALDH1A1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 — — EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 — — US disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 — — EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 — — WO disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 — — EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US 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 (2 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885ALDH1A1 148/4885GAA 1059/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS HPGDS 1/4885ALDH1A1 123/4885GAA 550/4885

“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.

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