SCHEMBL2800485

SCHEMBL2800485

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc4cccnc34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SPR P35270 2/20 0.36
FASN P49327 1/20 0.35
TNKS O95271 3/20 0.35
TSHR P16473 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GAA P10253 1/20 0.35
CCKBR P32239 1/20 0.35
JAK2 O60674 1/20 0.35
PTK2 Q05397 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 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 0.91 SPR (0.38) ALDH1A1SIRT5SPRFASNTSHR
SCHEMBL2800919 0.89 ALDH1A1 (0.38) ALDH1A1HPGDSIRT5SPRFASN
SCHEMBL2800458 0.88 ALDH1A1 (0.41) ALDH1A1MAPTSIRT5SPRTNKS
SCHEMBL2801510 0.88 EGLN1 (0.38) ALDH1A1SIRT5SPRFASN
SCHEMBL2803213 0.88 NPC1 (0.40) ALDH1A1SIRT5SPRFASNKMT2A
SCHEMBL2800478 0.87 SIRT5 (0.46) ALDH1A1HPGDMAPTSIRT5SPR
SCHEMBL2801029 0.87 SPR (0.41) ALDH1A1SIRT5SPRFASNCCKBR
SCHEMBL2801637 0.87 SIRT5 (0.41) ALDH1A1MAPTSIRT5SPRFASN
SCHEMBL2800650 0.87 KDM4E (0.40) ALDH1A1HPGDMAPTSIRT5SPR
SCHEMBL2798787 0.86 TNF (0.36) ALDH1A1SIRT5SPRFASNCCKBR

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 243/4885HPGD 589/4885MAPT 2533/4885

“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.