SCHEMBL5347343

SCHEMBL5347343

O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 2/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
PDE7A Q13946 1/20 0.34

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
SCHEMBL11336172 0.81 SMN1; SMN2 (0.51) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL2905551 0.81 SMN1; SMN2 (0.51) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL5350233 0.81 MAPT (0.49) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL2899745 0.73 ALDH1A1 (0.47) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL2899744 0.73 ALDH1A1 (0.47) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL9737225 0.71 MAPT (0.49) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL6763215 0.70 MAPT (0.48) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL5346805 0.70 MAPT (0.48) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL18814405 0.70 MAPT (0.45) MAPTPKMALDH1A1NPSR1SMN1; SMN2
SCHEMBL19984536 0.69 ALDH1A1 (0.45) MAPTPKMALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7144886-B2 Dipeptidyl peptidase IV (DP-IV) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2006-12-05 US disclosed
US-7125863-B2 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2006-10-24 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2005-01-06 US disclosed
EP-1280797-B1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2004-10-13 EP disclosed
EP-1450794-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) INHIBITORS AS ANTI-DIABETIC AGENTS FERRING B.V. (NL) 2004-09-01 EP disclosed
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2004-04-29 US disclosed
US-20030216450-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2003-11-20 US disclosed
WO-2003035067-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) INHIBITORS AS ANTI-DIABETIC AGENTS FERRING B.V. (NL) 2003-05-01 WO disclosed
EP-1282600-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Ferring BV (NL) 2003-02-12 EP disclosed
WO-2001081304-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2001-11-01 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 (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-20030216450-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP8 MAPT 4774/4885PKM 4649/4885ALDH1A1 1539/4885
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 MAPT 4800/4885PKM 4030/4885ALDH1A1 568/4885
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents DPP4, DPP8, DPP3 MAPT 4833/4885PKM 3551/4885ALDH1A1 2953/4885

“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.