SCHEMBL3240109

SCHEMBL3240109

O=C(O)c1csc(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
PLA2G10 O15496 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5347867 0.83 ALDH1A1 (0.61) ALDH1A1HPGDSKDM4EMAPTPLA2G10
SCHEMBL25413652 0.83 KDM4E (0.62) ALDH1A1KDM4EMAPTPLA2G10MEN1
SCHEMBL9911663 0.79 ALDH1A1 (0.56) ALDH1A1PLA2G10PTPN1
SCHEMBL3412110 0.77 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EMAPTPLA2G10
SCHEMBL31341221 0.77 ALDH1A1 (0.61) ALDH1A1HPGDSKDM4EPLA2G10ACHE
SCHEMBL6786585 0.76 ALDH1A1 (0.63) ALDH1A1HPGDSKDM4EPLA2G10ACHE
Hydrochloric Acid SCHEMBL6821165 0.75 ALDH1A1 (0.69) ALDH1A1HPGDSKDM4EMAPTPLA2G10
SCHEMBL4355343 0.75 TLR7 (0.64) ALDH1A1HPGDSKDM4EMAPTPLA2G10
SCHEMBL26319829 0.75 PRKD3 (0.51) ALDH1A1HPGDSKDM4ENPC1RAB9A
SCHEMBL12943990 0.75 PRKAG1 (0.40) ALDH1A1HPGDSKDM4EMAPTPLA2G10

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 ALDH1A1 2115/4885HPGDS 349/4885KDM4E 4565/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 ALDH1A1 1738/4885HPGDS 754/4885KDM4E 4555/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ALDH1A1 2115/4885HPGDS 349/4885KDM4E 4565/4885

“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.