SCHEMBL16822656

SCHEMBL16822656

CN(C)c1ncc(C(=O)O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CG P48736 1/20 0.38
HPGD P15428 1/20 0.37
CES1 P23141 4/20 0.36
FAAH O00519 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NLRP3 Q96P20 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 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
SCHEMBL16838682 0.84 PIK3CG (0.41) KDM4EALDH1A1ALOX15HSD17B10PIK3CG
SCHEMBL20924540 0.77 HCAR3 (0.46) KDM4EALDH1A1ALOX15CES1FAAH
SCHEMBL20239403 0.74
SCHEMBL8303534 0.72
SCHEMBL15200818 0.70 CES1 (0.51) CES1FAAHNLRP3HCAR2TDP1
SCHEMBL7977655 0.68
SCHEMBL1838907 0.68
SCHEMBL19556315 0.68
SCHEMBL567221 0.68 CES1 (0.39) KDM4EALDH1A1ALOX15PIK3CGHPGD
SCHEMBL1912536 0.68 PIK3CG (0.38) KDM4EALDH1A1HSD17B10PIK3CGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-06-11 US disclosed
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2020-03-24 US disclosed
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-01-03 US disclosed
US-10085989-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-10-02 US disclosed
EP-3083627-B1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS NOVARTIS AG (CH) 2018-09-05 EP disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 US disclosed
EP-3083627-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS Novartis AG (CH) 2016-10-26 EP disclosed
US-20160303129-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-10-20 US disclosed
US-9303034-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-04-05 US disclosed
WO-2015095477-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS IRM LLC (BM) 2015-06-25 WO disclosed
US-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-06-25 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 (9 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-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-20160303129-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-10085989-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KDM4E 3178/4885ALDH1A1 866/4885ALOX15 169/4885

“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.