SCHEMBL5346805

SCHEMBL5346805

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PDE7A Q13946 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6763215 1.00 MAPT (0.48) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL9737225 0.88 MAPT (0.49) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL5350233 0.78 MAPT (0.49) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL2905551 0.78 SMN1; SMN2 (0.51) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL11336172 0.78 SMN1; SMN2 (0.51) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL4697170 0.78 MAPT (0.43) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL19917852 0.72 MAPT (0.54) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL18581317 0.71 MAPT (0.74) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL2899745 0.71 ALDH1A1 (0.47) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL2899744 0.71 ALDH1A1 (0.47) MAPTPKMALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
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
CN-1575171-A Novel anti-diabetic agents FERRING BV (NL) 2005-02-02 CN 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
EP-1280797-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-02-05 EP disclosed
WO-2001081337-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2001-11-01 WO 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 (4 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-20080200687-A1 Preparation of Terazole Derivatives TERB1, TALDO1, TERT MAPT 54/4885PKM 489/4885ALDH1A1 812/4885
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.