SCHEMBL16452575

SCHEMBL16452575

CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nsc(-c3cccc(C)c3)n2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 5/20 0.42
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MAPT P10636 7/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 2/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16587284 0.93 PDE4B (0.43) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16452563 0.93 ALDH1A1 (0.42) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16452587 0.92 PDE4B (0.42) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16452554 0.91 POLB (0.39) ALDH1A1NPSR1MAPTLMNACYP3A4
SCHEMBL15242757 0.89 NR1H2 (0.46) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16452555 0.88 MDM2 (0.40) ALDH1A1NPSR1MAPTLMNAHPGD
SCHEMBL16452526 0.86 PDE4B (0.42) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16452443 0.85 PDE4B (0.45) PDE4BALDH1A1NPSR1PDE4APDE4C
SCHEMBL16587283 0.84 POLB (0.39) ALDH1A1NPSR1MAPTLMNACYP3A4
SCHEMBL16452588 0.83 PDE4B (0.46) PDE4BALDH1A1NPSR1PDE4APDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4B 2166/4885ALDH1A1 1118/4885NPSR1 1519/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA PDE4B 2242/4885ALDH1A1 1166/4885NPSR1 1413/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA PDE4B 2166/4885ALDH1A1 1118/4885NPSR1 1519/4885

“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.