SCHEMBL2800844

SCHEMBL2800844

Cc1ncccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)O)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.42
ALDH1A1 P00352 3/20 0.40
PDE4B Q07343 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD5 Q86SK9 2/20 0.39
F11 P03951 2/20 0.39
SCD O00767 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
FASN P49327 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL2800704 0.91 KDM4E (0.43) SPRALDH1A1PDE4BTP53POLB
SCHEMBL2801085 0.90 PDE4B (0.44) SPRALDH1A1PDE4BL3MBTL1SCD5
SCHEMBL2803776 0.89 SPR (0.38) SPRALDH1A1PDE4BL3MBTL1SCD5
SCHEMBL2800458 0.88 ALDH1A1 (0.41) SPRALDH1A1SCD5SCDSIRT5
SCHEMBL2802215 0.87 ALDH1A1 (0.42) SPRALDH1A1PDE4BSCD5SCD
SCHEMBL2803347 0.86 SPR (0.41) SPRALDH1A1PDE4BL3MBTL1SCD5
SCHEMBL2801684 0.86 LMNA (0.45) SPRALDH1A1PDE4BF11SIRT5
SCHEMBL2800955 0.86 SPR (0.41) SPRALDH1A1PDE4BL3MBTL1SCD5
SCHEMBL2801102 0.86 SIRT5 (0.50) SPRALDH1A1L3MBTL1SIRT5MAPT
SCHEMBL2800090 0.86 ALDH1A1 (0.42) SPRALDH1A1PDE4BL3MBTL1F11

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 2955/4885ALDH1A1 243/4885PDE4B 1603/4885

“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.