SCHEMBL2803309

SCHEMBL2803309

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
NPC1L1 Q9UHC9 1/20 0.38
LMNA P02545 1/20 0.37
TACR1 P25103 5/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 4/20 0.35
GHSR Q92847 1/20 0.35
NPY5R Q15761 3/20 0.35
THRB P10828 1/20 0.34
MAPT P10636 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
SCHEMBL2799274 0.93 HDAC1 (0.41) HDAC1HDAC8HDAC6NPC1L1LMNA
SCHEMBL2801583 0.89 CCNA2 (0.40) HDAC1HDAC8HDAC6LMNAACHE
SCHEMBL2803834 0.82 RBP4 (0.40) TACR1TP53
SCHEMBL2803222 0.81 HSD11B1 (0.33) LMNATACR1THRB
SCHEMBL2802503 0.81 CCR5 (0.34) HDAC1HDAC8HDAC6LMNATACR1
SCHEMBL2801247 0.81 IDO1 (0.39)
SCHEMBL2801130 0.81 CCR5 (0.35) NPY5R
SCHEMBL2802406 0.80 MCHR2 (0.33) THRB
SCHEMBL2801605 0.80 POLB (0.43) TACR1MAPT
SCHEMBL2801318 0.79 KDM4E (0.41) LMNATP53

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.