SCHEMBL2800063

SCHEMBL2800063

O=C(O)c1cnn2c(Nc3cccc4c3CCC4)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.44
TRPV1 Q8NER1 3/20 0.42
RORC P51449 1/20 0.39
ALDH1A1 P00352 3/20 0.39
FASN P49327 1/20 0.39
F11 P03951 1/20 0.38
HSD11B1 P28845 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
PDE4B Q07343 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL2800068 0.92 SPR (0.41) SPRTRPV1RORCALDH1A1FASN
SCHEMBL2801602 0.89 SPR (0.40) SPRTRPV1RORCALDH1A1FASN
SCHEMBL2801085 0.86 PDE4B (0.44) SPRALDH1A1FASNF11SIRT5
SCHEMBL2801684 0.85 LMNA (0.45) SPRALDH1A1F11HPGDSMN1; SMN2
SCHEMBL2801102 0.84 SIRT5 (0.50) SPRALDH1A1HPGDSMN1; SMN2SIRT5
SCHEMBL2800506 0.84 KMT2A (0.41) SPRALDH1A1FASNF11SIRT5
SCHEMBL2800458 0.84 ALDH1A1 (0.41) SPRALDH1A1SIRT5
SCHEMBL2798969 0.84 SCD5 (0.44) SPRALDH1A1TSHRSIRT5L3MBTL1
SCHEMBL2803347 0.83 SPR (0.41) SPRALDH1A1FASNF11SIRT5
SCHEMBL2800955 0.83 SPR (0.41) SPRALDH1A1FASNF11SIRT5

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 SPR 2955/4885TRPV1 1735/4885RORC 492/4885

“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.