SCHEMBL2800581

SCHEMBL2800581

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccnn3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.40
SCD5 Q86SK9 2/20 0.36
SPR P35270 1/20 0.36
ALDH1A1 P00352 2/20 0.35
FASN P49327 1/20 0.35
OPRM1 P35372 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP5 P45974 1/20 0.34
MGLL Q99685 1/20 0.34
HTR2B P41595 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL2801121 0.89 SMO (0.45) SMOSCD5SPRALDH1A1L3MBTL1
SCHEMBL2803776 0.87 SPR (0.38) SCD5SPRALDH1A1FASNOPRM1
SCHEMBL2803213 0.87 NPC1 (0.40) SCD5SPRALDH1A1FASNOPRM1
SCHEMBL2801510 0.87 EGLN1 (0.38) SCD5SPRALDH1A1FASNOPRM1
SCHEMBL2800478 0.86 SIRT5 (0.46) SPRALDH1A1FASNUSP5MGLL
SCHEMBL2801661 0.86 PDE4B (0.41) SPRALDH1A1FASNOPRM1
SCHEMBL2802343 0.85 JAK2 (0.38) SCD5SPRALDH1A1FASNL3MBTL1
SCHEMBL2798787 0.85 TNF (0.36) SCD5SPRALDH1A1FASNOPRM1
SCHEMBL2802824 0.85 STAT6 (0.39) SCD5SPRALDH1A1L3MBTL1MGLL
SCHEMBL2802383 0.85 HPGD (0.45) ALDH1A1L3MBTL1

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 SMO 1649/4885SCD5 3304/4885SPR 2955/4885

“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.