SCHEMBL3240180

SCHEMBL3240180

CCOC(=O)c1csc(-c2cc(Cl)c(OC)c(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 5/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CLK1 P49759 1/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13645752 0.94 RAB9A (0.51) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL2764014 0.86 HPGD (0.63) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL5338937 0.84 RAB9A (0.58) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL18002724 0.84 RAB9A (0.61) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL9911662 0.82 RAB9A (0.60) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL15871928 0.81 RAB9A (0.58) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL13144514 0.79 MAPT (0.70) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL8345149 0.79 RAB9A (0.69) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL12582252 0.79 RAB9A (0.72) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL201788 0.78 RAB9A (0.67) RAB9AGAAMAPTALDH1A1NPC1

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 RAB9A 2192/4885GAA 714/4885MAPT 4877/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 RAB9A 2224/4885GAA 970/4885MAPT 4615/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 RAB9A 2192/4885GAA 714/4885MAPT 4877/4885

“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.