SCHEMBL2800919

SCHEMBL2800919

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc4ncccc34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 2/20 0.38
TPSAB1 Q15661 4/20 0.36
CCKBR P32239 2/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
SPR P35270 1/20 0.35
HPGD P15428 1/20 0.35
SYK P43405 1/20 0.35
CASP1 P29466 1/20 0.34
HTR2B P41595 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
HSD11B1 P28845 1/20 0.34
P2RX7 Q99572 2/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL2803776 0.90 SPR (0.38) ALDH1A1PDE4BSPRSIRT5HSD11B1
SCHEMBL2800485 0.89 ALDH1A1 (0.37) ALDH1A1CCKBRSPRHPGDSYK
SCHEMBL2802215 0.89 ALDH1A1 (0.42) ALDH1A1PDE4BCCKBRSPRHPGD
SCHEMBL2801510 0.87 EGLN1 (0.38) ALDH1A1PDE4BSPRSIRT5FASN
SCHEMBL2803213 0.87 NPC1 (0.40) ALDH1A1PDE4BSPRSIRT5FASN
SCHEMBL2801629 0.87 MGLL (0.42) ALDH1A1TPSAB1SPRSYKHSD11B1
SCHEMBL2801512 0.87 HPGD (0.42) ALDH1A1PDE4BSPRHPGD
SCHEMBL2800478 0.86 SIRT5 (0.46) ALDH1A1CCKBRSPRHPGDSIRT5
SCHEMBL2801669 0.86 SPR (0.43) ALDH1A1TPSAB1SPRHTR2BSIRT5
SCHEMBL2801637 0.86 SIRT5 (0.41) ALDH1A1CCKBRSPRSIRT5FASN

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
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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 (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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885PDE4B 1603/4885TPSAB1 563/4885

“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.