SCHEMBL2001966

SCHEMBL2001966

O=C(O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.56
DRD2 P14416 3/20 0.55
LMNA P02545 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADRB2 P07550 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
RIPK1 Q13546 1/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL2974486 0.92 CA12 (0.60) ALDH1A1KDM4EDRD2CA12CA1
SCHEMBL2301058 0.87 CKS1B (0.60) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL1919795 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL2005995 0.85 USP30 (0.54) ALDH1A1KDM4EDRD2CA12CA1
SCHEMBL4371640 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL13449930 0.85 LMNA (0.57) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL19652126 0.83 CKS1B (0.63) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL19652276 0.83 LMNA (0.59) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL4233141 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EDRD2LMNACA12
SCHEMBL13890887 0.82 LMNA (0.55) ALDH1A1KDM4EDRD2LMNACA12

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 4 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

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 ALDH1A1 2568/4885KDM4E 4359/4885DRD2 4000/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 2568/4885KDM4E 4359/4885DRD2 4000/4885

“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.