SCHEMBL2801328

SCHEMBL2801328

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
DHODH Q02127 3/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
TLR4 O00206 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
KDR P35968 2/20 0.34
PDE4B Q07343 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33

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
SCHEMBL2800965 0.96 DHODH (0.35) TP53DHODHALDH1A1KDM4ETLR4
SCHEMBL2801052 0.92 ALDH1A1 (0.37) TP53ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2804334 0.90 ALDH1A1 (0.33) TP53ALDH1A1KDM4ETLR4HPGD
SCHEMBL2802357 0.90 PDE4B (0.35) DHODHALDH1A1MAPTPDE4B
SCHEMBL2800426 0.89 AVPR1A (0.41) TP53DHODHALDH1A1KDM4ETLR4
SCHEMBL2803128 0.87 BRAF (0.37) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL2801528 0.87 S1PR5 (0.33) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2802251 0.87 TP53 (0.36) TP53DHODHALDH1A1KDM4ETLR4
SCHEMBL2801503 0.86 AVPR1A (0.42) TP53ALDH1A1KDM4ETLR4HSD17B10
SCHEMBL2803208 0.85 ALDH1A1 (0.32) ALDH1A1KDM4ETLR4HPGDHSD17B10

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 241/4885DHODH 446/4885ALDH1A1 243/4885

“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.