SCHEMBL3488095

SCHEMBL3488095

CC(=O)c1cc2cc(N)ccc2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.73
LMNA P02545 4/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
GAA P10253 2/20 0.69
HSD17B10 Q99714 2/20 0.69
GLA P06280 1/20 0.69
HPGD P15428 1/20 0.69
CASP1 P29466 1/20 0.69
BRCA1 P38398 1/20 0.69
CASP7 P55210 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CA2 P00918 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL20612448 0.85 GAA (0.54) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL31060249 0.85 FLT3 (1.00) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL6021894 0.83 FLT3 (0.76) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL3487776 0.83 FLT3 (0.76) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL15623111 0.81 ALDH1A1 (0.69) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL11684788 0.81 ALDH1A1 (0.69) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL30402838 0.81 KDM4E (1.00) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL1390692 0.81 KDM4E (1.00) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL20136031 0.81 LMNA (0.62) FLT3LMNAKDM4EALDH1A1GAA
SCHEMBL211674 0.81 FLT3 (0.67) FLT3LMNAKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087428-A1 PROCESS FOR PREPARATION OF VILAZODONE AND INTERMEDIATES THEREOF GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED (IN) 2014-06-12 WO disclosed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US disclosed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 FLT3 3024/4885LMNA 3519/4885KDM4E 4430/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 FLT3 2473/4885LMNA 2498/4885KDM4E 3260/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 FLT3 2999/4885LMNA 3647/4885KDM4E 4498/4885

“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.