SCHEMBL19628302

SCHEMBL19628302

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
LMNA P02545 6/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 3/20 0.33
FAAH O00519 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 2/20 0.30

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
SCHEMBL16452527 0.92 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL16452516 0.91 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL19633201 0.90 HSP90AA1 (0.33) ALDH1A1NPSR1
SCHEMBL16452469 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL16452593 0.84 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL16452557 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL16455290 0.83 NR1H2 (0.41) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL16452562 0.83 ELANE (0.35) ALDH1A1HSD17B10HPGDMAPTTSHR
SCHEMBL16452630 0.82 MAPT (0.38) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL16452526 0.81 PDE4B (0.42) ALDH1A1LMNAHSD17B10HPGDMAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA ALDH1A1 1166/4885LMNA 467/4885HSD17B10 177/4885

“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.