SCHEMBL2800542

SCHEMBL2800542

Cc1ccc(C(F)(F)F)cc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)NS(=O)(=O)C3CC3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.41
FASN P49327 7/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
SCN5A Q14524 4/20 0.37
SCN9A Q15858 4/20 0.37
EGLN1 Q9GZT9 1/20 0.37
NLRP3 Q96P20 3/20 0.36
SCN2B O60939 2/20 0.36
SCN1A P35498 2/20 0.36
SCN1B Q07699 2/20 0.36
F11 P03951 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2801155 0.90 POLB (0.40) RBP4FASNEGLN1F11
SCHEMBL2799694 0.90 TAS2R14 (0.48) FASNTAS2R14EGLN1F11CNR2
SCHEMBL2801617 0.86 FASN (0.38) RBP4FASNEGLN1F11
SCHEMBL2800540 0.85 TAS2R14 (0.43) FASNTAS2R14EGLN1F11CNR2
SCHEMBL2802567 0.85 EGLN1 (0.38) RBP4FASNSCN9AEGLN1F11
SCHEMBL2803081 0.85 FASN (0.40) FASNSCN9ASCN2BSCN1B
SCHEMBL2799916 0.85 EGLN1 (0.39) RBP4FASNSCN9AEGLN1F11
SCHEMBL2800585 0.83 RBP4 (0.39) RBP4FASNEGLN1
SCHEMBL2800621 0.82 SPR (0.41) RBP4FASNSCN9AEGLN1SCN2B
SCHEMBL2802285 0.82 FASN (0.35) RBP4FASNSCN5ASCN9ASCN2B

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 RBP4 92/4885FASN 4286/4885TAS2R14 3674/4885

“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.