SCHEMBL2800586

SCHEMBL2800586

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.45
SYK P43405 3/20 0.41
MGLL Q99685 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
SIRT5 Q9NXA8 1/20 0.38
KCNH2 Q12809 1/20 0.37
AVPR1A P37288 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 3/20 0.36
FASN P49327 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.35
BTK Q06187 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL2798539 0.91 SPR (0.44) SPRSYKSIRT5ALDH1A1KDM4E
SCHEMBL2801029 0.89 SPR (0.41) SPRSYKMGLLSIRT5KCNH2
SCHEMBL2801767 0.86 SPR (0.47) SPRSYKMGLLKDM4CSIRT5
SCHEMBL2800458 0.84 ALDH1A1 (0.41) SPRSYKSIRT5ALDH1A1
SCHEMBL2801644 0.84 SPR (0.44) SPRSYKMGLLKDM4CSIRT5
SCHEMBL2800076 0.83 SPR (0.44) SPRSYKMGLLKDM4CAVPR1A
SCHEMBL2801102 0.83 SIRT5 (0.50) SPRMGLLSIRT5AVPR1AALDH1A1
SCHEMBL2801085 0.83 PDE4B (0.44) SPRSIRT5ALDH1A1FASNL3MBTL1
SCHEMBL2798969 0.82 SCD5 (0.44) SPRSIRT5ALDH1A1L3MBTL1LMNA
SCHEMBL2801684 0.82 LMNA (0.45) SPRMGLLSIRT5ALDH1A1MEN1

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 2955/4885SYK 958/4885MGLL 4369/4885

“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.