SCHEMBL2801731

SCHEMBL2801731

Cc1ccc(C)c(Nc2c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc3c(Br)cnn23)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
PDE4B Q07343 1/20 0.38
FASN P49327 10/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD5 Q86SK9 1/20 0.36
POLB P06746 1/20 0.35
F11 P03951 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
HTR1A P08908 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
SCHEMBL2801518 0.93 CYP46A1 (0.36) TP53PDE4BFASNCYP46A1MEN1
SCHEMBL2800858 0.92 TP53 (0.42) TP53PDE4BFASNCYP46A1MEN1
SCHEMBL2800107 0.85 SPR (0.39) TP53FASNALDH1A1LMNAMAPT
SCHEMBL2803131 0.85 TP53 (0.38) TP53PDE4BFASNALDH1A1LMNA
SCHEMBL2800983 0.85 CYP46A1 (0.37) TP53PDE4BFASNCYP46A1MEN1
SCHEMBL2801190 0.84 TP53 (0.43) TP53PDE4BFASNMEN1ALDH1A1
SCHEMBL2801547 0.84 TP53 (0.38) TP53PDE4BFASNCYP46A1MEN1
SCHEMBL2801107 0.83 FASN (0.39) FASN
SCHEMBL2801242 0.80 KDM4E (0.40) PDE4BFASNMEN1ALDH1A1MAPT
SCHEMBL2800804 0.80 VNN1 (0.37) SCD5HTR1A

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 TP53 241/4885PDE4B 1603/4885FASN 4286/4885

“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.