SCHEMBL3166707

SCHEMBL3166707

Nc1ncc(-c2cccc(Br)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
HK1 P19367 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
CSNK2A1 P68400 1/20 0.49
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
BIRC5 O15392 1/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL12601168 0.82 MAP4K4 (0.53) ALDH1A1MAPTRAB9AHPGDCSNK2A1
SCHEMBL17632161 0.82 CSNK2A1 (0.59) ALDH1A1MAPTRAB9ACSNK2A1NPC1
SCHEMBL69900 0.81 CSNK2A1 (0.62) ALDH1A1MAPTRAB9ACSNK2A1NPC1
Bromide SCHEMBL12496053 0.80 CSNK2A1 (0.57) ALDH1A1MAPTRAB9ACSNK2A1NPC1
Hydrochloric Acid SCHEMBL11145599 0.80 CSNK2A1 (0.61) ALDH1A1MAPTRAB9ACSNK2A1NPC1
Bromide SCHEMBL22834317 0.80 CSNK2A1 (0.61) ALDH1A1MAPTRAB9ACSNK2A1NPC1
SCHEMBL2406426 0.79 CSNK2A1 (0.49) ALDH1A1MAPTRAB9ACSNK2A1NPC1
SCHEMBL2407377 0.79 NPC1 (0.44) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29393032 0.79 KDM4E (0.54) ALDH1A1MAPTRAB9ACSNK2A1NPC1
SCHEMBL9954813 0.79 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AHPGDCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
EP-2032138-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK Merck Sharp & Dohme Limited (GB) 2009-03-11 EP disclosed
WO-2007141571-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2007-12-13 WO disclosed
WO-2007141571-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2007-12-13 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-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MAPT, MARK4, MARK3 ALDH1A1 3884/4885MAPT 1/4885RAB9A 1693/4885

“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.