SCHEMBL2801029

SCHEMBL2801029

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc4cc[nH]c34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.41
FASN P49327 1/20 0.36
SYK P43405 3/20 0.36
SIRT5 Q9NXA8 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MGLL Q99685 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 1/20 0.33
CCKBR P32239 1/20 0.33
TPSAB1 Q15661 1/20 0.33
AVPR1A P37288 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCD5 Q86SK9 1/20 0.32
PTPN11 Q06124 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL2800586 0.89 SPR (0.45) SPRFASNSYKSIRT5HCRTR1
SCHEMBL2801669 0.89 SPR (0.43) SPRFASNSIRT5MGLLHTR2B
SCHEMBL2798539 0.88 SPR (0.44) SPRSYKSIRT5HTR2BALDH1A1
SCHEMBL2800485 0.87 ALDH1A1 (0.37) SPRFASNSYKSIRT5ALDH1A1
SCHEMBL2802343 0.87 JAK2 (0.38) SPRFASNSIRT5MGLLALDH1A1
SCHEMBL2802212 0.86 SPR (0.41) SPRFASNSYKSIRT5MGLL
SCHEMBL2801510 0.86 EGLN1 (0.38) SPRFASNSIRT5ALDH1A1L3MBTL1
SCHEMBL2803213 0.86 NPC1 (0.40) SPRFASNSIRT5ALDH1A1L3MBTL1
SCHEMBL2801964 0.86 SPR (0.40) SPRFASNSYKMGLLHTR2B
SCHEMBL2800478 0.86 SIRT5 (0.46) SPRFASNSIRT5MGLLALDH1A1

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 SPR 2955/4885FASN 4286/4885SYK 958/4885

“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.