SCHEMBL1420652

SCHEMBL1420652

Nc1cc2ncsc2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
DYRK1A Q13627 1/20 0.43
CASP6 P55212 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
CASP9 P55211 1/20 0.37
CASP8 Q14790 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
SCHEMBL7597205 0.85 ALDH1A1 (0.43) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL29414890 0.85 ALDH1A1 (0.43) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL6129384 0.78 ALDH1A1 (0.38) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL2999828 0.78 TERT (0.45) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL22655616 0.78 MEN1 (0.48) DYRK1AALDH1A1HSD17B10NPC1RAB9A
SCHEMBL19988679 0.78 DYRK1A (0.42) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL30490167 0.78 ALDH1A1 (0.38) GAADYRK1AALDH1A1HSD17B10NPC1
SCHEMBL22120595 0.78 DYRK1A (0.42) DYRK1AALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4296143 0.77 ALDH1A1 (0.52) DYRK1AALDH1A1HSD17B10NPC1RAB9A
Sulfuric Acid SCHEMBL28617618 0.75 NPC1 (0.42) GAAALDH1A1HSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 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 (1 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 GAA 722/4885DYRK1A 4865/4885CASP6 855/4885

“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.