SCHEMBL2801518

SCHEMBL2801518

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
SCD5 Q86SK9 1/20 0.36
PDE4B Q07343 1/20 0.35
FASN P49327 3/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2801731 0.93 TP53 (0.41) CYP46A1TP53LMNASCD5PDE4B
SCHEMBL2800983 0.92 CYP46A1 (0.37) CYP46A1TP53LMNASCD5PDE4B
SCHEMBL2802498 0.85 ALDH1A1 (0.40) TP53LMNASCD5PDE4BFASN
SCHEMBL2801080 0.85 ALDH1A1 (0.36) CYP46A1SCD5FASNALDH1A1MAPT
SCHEMBL2800858 0.85 TP53 (0.42) CYP46A1TP53SCD5PDE4BFASN
SCHEMBL2801547 0.83 TP53 (0.38) CYP46A1TP53SCD5PDE4BFASN
SCHEMBL2801107 0.82 FASN (0.39) FASNSPR
SCHEMBL2801483 0.81 LMNA (0.45) LMNAPDE4BALDH1A1KDM4E
SCHEMBL2800107 0.80 SPR (0.39) TP53LMNAFASNALDH1A1MAPT
SCHEMBL2800804 0.79 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 CYP46A1 823/4885TP53 241/4885LMNA 2418/4885

“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.