SCHEMBL2002157

SCHEMBL2002157

O=C(c1cccnc1Cl)N1CC[CH]CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CYP2C19 P33261 1/20 0.56
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.43
PARP1 P09874 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
SCHEMBL1865263 0.86 POLB (0.63) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL1976542 0.84 POLB (0.65) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL30073359 0.83 POLB (0.60) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL12833234 0.83 RXFP1 (0.63) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL855339 0.83 POLB (0.60) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL13149251 0.82 ALDH1A1 (0.68) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL3764825 0.81 POLB (0.61) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL1863115 0.80 POLB (0.63) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL13116745 0.80 ALDH1A1 (0.68) POLBLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3764827 0.80 POLB (0.60) POLBCYP2C19LMNASMN1; SMN2ALDH1A1

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 12 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 claimed
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 claimed
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 claimed
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 claimed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN claimed
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
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN 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 POLB 3675/4885CYP2C19 1869/4885LMNA 3236/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 POLB 3675/4885CYP2C19 1869/4885LMNA 3236/4885

“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.