SCHEMBL3973922

SCHEMBL3973922

O=[N+]([O-])c1ccc(OC2CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.52
PDE7A Q13946 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SCD O00767 1/20 0.45
CYP19A1 P11511 4/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
PTGES O14684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL20694275 0.92 MAP2K1 (0.49) UTS2RPDE7AHSD17B10CYP2D6
SCHEMBL27265100 0.90 HSD17B10 (0.53) PDE7AHSD17B10SCDCYP19A1ALDH1A1
Trifluoroacetic Acid SCHEMBL3973386 0.89 UTS2R (0.49) UTS2RPDE7ASCDALDH1A1MAPT
SCHEMBL30296552 0.87 CYP19A1 (0.52) PDE7AHSD17B10SCDCYP19A1ALDH1A1
SCHEMBL22069750 0.87 CYP19A1 (0.55) PDE7AHSD17B10SCDCYP19A1ALDH1A1
SCHEMBL2581331 0.86 PDE7A (0.49) PDE7AHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL6819180 0.86 CYP19A1 (0.56) PDE7AHSD17B10SCDCYP19A1ALDH1A1
SCHEMBL31203065 0.83 ALDH1A1 (0.47) UTS2RCYP19A1ALDH1A1MAPTKMT2A
SCHEMBL12075923 0.83 UTS2R (0.51) UTS2RCYP19A1ALDH1A1MAPTKMT2A
SCHEMBL12040660 0.83 SLC6A2 (0.46) UTS2RCYP19A1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019022223-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-01-31 WO disclosed
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 UTS2R 1166/4885PDE7A 4048/4885HSD17B10 1508/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB UTS2R 3395/4885PDE7A 3607/4885HSD17B10 3844/4885

“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.