SCHEMBL10188264

SCHEMBL10188264

CCOC(=O)/C=C(\O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP3A4 P08684 2/20 0.32
FDPS P14324 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL10188266 0.84 MEP1B (0.40) NPSR1MEN1KMT2AKDM4EMAOB
SCHEMBL608742 0.83 HSD17B10 (0.35) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL608743 0.83 HSD17B10 (0.35) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL2835446 0.80 TSHR (0.44) NPSR1MEN1KMT2AALDH1A1KDM4E
Acetic Acid SCHEMBL28937184 0.79 TSHR (0.41) NPSR1MEN1KMT2AALDH1A1KDM4E
Ethyl Acetate SCHEMBL28937185 0.78 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL966496 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL9376935 0.75 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL30181119 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EHSD17B1
SCHEMBL607945 0.74 HSD17B10 (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B1

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-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
EP-1913004-B1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-09-22 EP disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2007014308-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2007-02-01 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-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, DNA2 NPSR1 4255/4885MEN1 2518/4885KMT2A 3185/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 NPSR1 4255/4885MEN1 2518/4885KMT2A 3185/4885

“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.