SCHEMBL2004487

SCHEMBL2004487

O=C(O)NC1CN(c2ncc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.61
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 8/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PHGDH O43175 2/20 0.49
RECQL P46063 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
SCHEMBL6192649 0.88 MAPT (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20283133 0.82 POLB (0.57) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL29242187 0.81 GRM4 (0.60) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30958619 0.81 GRM4 (0.60) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30958601 0.80 GRM4 (0.56) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL29242156 0.80 GRM4 (0.56) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL29242142 0.80 GRM4 (0.56) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30958613 0.80 GRM4 (0.56) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL30958593 0.79 GRM4 (0.55) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL29242211 0.79 GRM4 (0.55) GRM4NPC1RAB9AMEN1KMT2A

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-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 GRM4 662/4885NPC1 76/4885RAB9A 3641/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 GRM4 662/4885NPC1 76/4885RAB9A 3641/4885

“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.