SCHEMBL16455290

SCHEMBL16455290

CCOC(=O)c1nn(-c2ccccc2C(C)C)c(-c2nc(-c3cccc(S(C)(=O)=O)c3)ns2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.41
HSP90AA1 P07900 4/20 0.39
HSP90B1 P14625 2/20 0.39
TRAP1 Q12931 2/20 0.39
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
RXRA P19793 1/20 0.34
NR1H3 Q13133 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP19A1 P11511 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19633201 0.92 HSP90AA1 (0.33) NR1H2HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL16452527 0.90 ALDH1A1 (0.40) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL16455279 0.89 NR1H2 (0.45) NR1H2ALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL16455242 0.87 NR1H2 (0.42) NR1H2HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL16455301 0.85 NR1H2 (0.40) NR1H2HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL16455392 0.85 NR1H2 (0.41) NR1H2HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL16455607 0.84 NR1H2 (0.51) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL15242752 0.83 NR1H2 (0.45) NR1H2ALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL16455297 0.83 NR1H2 (0.36) NR1H2HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL19628302 0.83 ALDH1A1 (0.36) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19

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
EP-3441390-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS Ralexar Therapeutics, Inc. (US) 2019-02-13 EP disclosed
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. 2017-11-23 US disclosed
US-9637481-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions RALEXAR THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2015-06-04 US disclosed
US-8987318-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions ALEXAR THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. (US) 2015-02-12 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 (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-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885HSP90AA1 556/4885HSP90B1 593/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885HSP90AA1 529/4885HSP90B1 506/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA NR1H2 1/4885HSP90AA1 556/4885HSP90B1 593/4885

“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.