SCHEMBL2801429

SCHEMBL2801429

Cc1ccc(C)c(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)NS(=O)(=O)C4CC4)cnn23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.32
TLR4 O00206 1/20 0.32
SCN9A Q15858 4/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
SCN5A Q14524 1/20 0.31
PDE2A O00408 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HRH1 P35367 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN2B O60939 1/20 0.31

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
SCHEMBL2800425 0.94 PDE2A (0.35) ALDH1A1KDM4ETLR4SCN9ASCN5A
SCHEMBL2801919 0.92 AVPR1A (0.37) ALDH1A1TP53KDM4ETLR4HPGD
SCHEMBL2801581 0.91 ALDH1A1 (0.33) ALDH1A1TP53KDM4ETHRBTLR4
SCHEMBL2802251 0.89 TP53 (0.36) ALDH1A1TP53KDM4ETHRBTLR4
SCHEMBL2803095 0.88 AVPR1A (0.37) ALDH1A1KDM4ETLR4SCN9AHSD17B10
SCHEMBL2799602 0.86 IDO1 (0.33) ALDH1A1KDM4ETLR4HPGDLMNA
SCHEMBL2800047 0.85 IDO1 (0.34) ALDH1A1KDM4ETLR4HPGDPDE2A
SCHEMBL2801683 0.85 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2803208 0.85 ALDH1A1 (0.32) ALDH1A1KDM4ETLR4SCN9AHPGD
SCHEMBL2803081 0.84 FASN (0.40) TP53THRBSCN9ALMNAMAPT

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 ALDH1A1 243/4885TP53 241/4885KDM4E 3180/4885

“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.