SCHEMBL5373958

SCHEMBL5373958

Nc1nc(OCCCCOC2CCCCO2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DHFR P00374 1/20 0.35
P2RX3 P56373 6/20 0.34
TNK2 Q07912 1/20 0.33
MET P08581 2/20 0.33
TGFBR1 P36897 2/20 0.32
TGFBR2 P37173 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL5221815 0.79 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5217542 0.78 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5249245 0.77 KMT2A (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17768141 0.76 KDM4C (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL12634797 0.73 ALDH1A1 (0.55) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL3446617 0.73 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17768193 0.72 KDM4C (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29963406 0.72 MEN1 (0.65) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29996581 0.71 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL23387990 0.71 NPC1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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 (3 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885KDM4C 1900/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885KDM4C 1900/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MEN1 3394/4885KMT2A 1551/4885KDM4C 1900/4885

“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.