SCHEMBL2803208

SCHEMBL2803208

Cc1ccc(F)c(Nc2c(C(=O)N3CCC4(CC3)COc3c(F)cccc34)cnc3c(C(=O)NS(=O)(=O)C4CC4)cnn23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
TLR4 O00206 1/20 0.32
SCN9A Q15858 5/20 0.31
SCN5A Q14524 3/20 0.31
EPHX2 P34913 1/20 0.31
PDE2A O00408 3/20 0.31
PDE10A Q9Y233 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN4A P35499 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDR P35968 2/20 0.30
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30

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
SCHEMBL2803095 0.92 AVPR1A (0.37) ALDH1A1KDM4ETLR4SCN9ASCN5A
SCHEMBL2800917 0.91 SMN1; SMN2 (0.34) ALDH1A1SCN9ASCN5ASCN2BSCN1A
SCHEMBL2800965 0.89 DHODH (0.35) ALDH1A1KDM4ETLR4HPGDHSD17B10
SCHEMBL2804334 0.87 ALDH1A1 (0.33) ALDH1A1KDM4ETLR4HPGDHSD17B10
SCHEMBL2801919 0.86 AVPR1A (0.37) ALDH1A1KDM4ETLR4HPGDHSD17B10
SCHEMBL2803128 0.85 BRAF (0.37) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL2801429 0.85 ALDH1A1 (0.32) ALDH1A1KDM4ETLR4SCN9ASCN5A
SCHEMBL2801328 0.85 TP53 (0.37) ALDH1A1KDM4ETLR4HPGDHSD17B10
SCHEMBL2801172 0.84 OXTR (0.35) ALDH1A1KDM4ETLR4SCN9AHSD17B10
SCHEMBL2800425 0.83 PDE2A (0.35) ALDH1A1KDM4ETLR4SCN9ASCN5A

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 243/4885KDM4E 3180/4885TLR4 804/4885

“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.