SCHEMBL2002846

SCHEMBL2002846

O=C(O)NC1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.51
BPTF Q12830 1/20 0.49
PANK3 Q9H999 3/20 0.47
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL18920480 0.92 LMNA (0.60) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL15379128 0.92 LMNA (0.60) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL15379830 0.85 LMNA (0.55) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5185499 0.83 MEN1 (0.53) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL24108813 0.82 MEN1 (0.60) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1977246 0.81 LMNA (1.00) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2005961 0.81 MEN1 (0.52) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL17687606 0.80 JAK2 (0.52) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13768899 0.79 KMT2A (0.59) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2006084 0.79 DEGS1 (0.51) PANK3KDM4EMAPT

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-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
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP 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 LMNA 3236/4885HTT 3784/4885MEN1 4332/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LMNA 3236/4885HTT 3784/4885MEN1 4332/4885

“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.