SCHEMBL15739665

SCHEMBL15739665

O=S(=O)(Cl)c1ccn2nccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN5A Q14524 1/20 0.38
PIK3CD O00329 2/20 0.38
NAMPT P43490 1/20 0.37
GAA P10253 1/20 0.31
ESR1 P03372 1/20 0.31
RIPK1 Q13546 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL30687534 0.82 CA2 (0.45) SCN5APIK3CDNAMPT
SCHEMBL19950861 0.78 SCN5A (0.38) ALDH1A1HSD17B10SCN5APIK3CDNAMPT
SCHEMBL25247191 0.74 ALDH1A1 (0.36) ALDH1A1HSD17B10TDP1ESR1
SCHEMBL14895486 0.70 PIK3CD (0.40) ALDH1A1HSD17B10TDP1PIK3CD
SCHEMBL30687464 0.69 ALDH1A1 (0.35) ALDH1A1HSD17B10TDP1
SCHEMBL4225417 0.67 SCN5A (0.46) SCN5APIK3CDNAMPTESR1RIPK1
SCHEMBL3076621 0.67 SCN5A (0.42) SCN5APIK3CDNAMPTESR1RIPK1
SCHEMBL24449040 0.67 SCN5A (0.42) SCN5APIK3CDNAMPTESR1RIPK1
SCHEMBL3080966 0.67 SCN5A (0.42) ALDH1A1HSD17B10SCN5APIK3CDNAMPT
SCHEMBL3077299 0.67 SCN5A (0.42) SCN5APIK3CDNAMPTESR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885HSD17B10 476/4885TDP1 4186/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885HSD17B10 476/4885TDP1 4186/4885

“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.