SCHEMBL5653052

SCHEMBL5653052

CN(C(=O)On1ccnc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 2/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
AR P10275 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NOS1 P29475 1/20 0.38
TLR9 Q9NR96 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6630250 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ATMCRHBPCRHR2
SCHEMBL5645646 0.84 LMNA (0.42) SMN1; SMN2MEN1KMT2AKDM4EL3MBTL1
SCHEMBL5648556 0.83 NPSR1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6630315 0.78 SCN4A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5646441 0.77 LMNA (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5647581 0.77 LMNA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5650068 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ATMCRHBPCRHR2
SCHEMBL5650139 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5651868 0.74 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5648732 0.74 LMNA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL ALDH1A1 1304/4885SMN1; SMN2 4233/4885ATM 1011/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL ALDH1A1 1599/4885SMN1; SMN2 4133/4885ATM 1103/4885

“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.