SCHEMBL2801744

SCHEMBL2801744

CC(Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)O)cnn12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PRCP P42785 2/20 0.42
SPR P35270 3/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 2/20 0.40
TYRO3 Q06418 2/20 0.40
MERTK Q12866 2/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
PDE2A O00408 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
F11 P03951 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKG1 Q13976 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL2800626 0.91 KCNH2 (0.40) KCNH2HRH3PRCPSPRALDH1A1
SCHEMBL2800799 0.90 ADORA1 (0.45) KCNH2HRH3PRCPALDH1A1KDM4E
SCHEMBL2800955 0.83 SPR (0.41) KCNH2HRH3SPRALDH1A1L3MBTL1
SCHEMBL2801085 0.83 PDE4B (0.44) SPRALDH1A1L3MBTL1KDM4EF11
SCHEMBL2801606 0.82 PDE4B (0.48) SPRALDH1A1L3MBTL1KDM4EF11
SCHEMBL2800936 0.81 STAT6 (0.42) SPRALDH1A1L3MBTL1MGLLKDM4C
SCHEMBL2801102 0.81 SIRT5 (0.50) SPRALDH1A1L3MBTL1MGLL
SCHEMBL2800506 0.81 KMT2A (0.41) SPRALDH1A1L3MBTL1MGLLKDM4E
SCHEMBL2801121 0.81 SMO (0.45) SPRALDH1A1L3MBTL1MGLLSCD5
SCHEMBL2798467 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4E

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 KCNH2 2531/4885HRH3 2544/4885PRCP 851/4885

“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.