SCHEMBL2799274

SCHEMBL2799274

CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3NCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 8/20 0.37
THRB P10828 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 1/20 0.36
NPC1L1 Q9UHC9 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
SCHEMBL2801583 0.93 CCNA2 (0.40) HDAC1HDAC8HDAC6ACHELMNA
SCHEMBL2803309 0.93 HDAC1 (0.40) HDAC1HDAC8HDAC6ACHELMNA
SCHEMBL2802606 0.79 RBP4 (0.49) TP53
SCHEMBL2799515 0.78 ADORA3 (0.37) HDAC1HDAC8HDAC6THRB
SCHEMBL2800787 0.78 ALDH1A1 (0.42)
SCHEMBL2802426 0.78 IDO1 (0.43)
SCHEMBL2800849 0.77 SRC (0.35) TP53TDP1
SCHEMBL2801342 0.77 KDM4E (0.46) LMNATP53
SCHEMBL2801058 0.76 POLB (0.48) LMNAMAPT
SCHEMBL2801330 0.76 VNN1 (0.36) TP53TDP1

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 HDAC1 607/4885HDAC8 369/4885HDAC6 503/4885

“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.