SCHEMBL2800958

SCHEMBL2800958

Cc1sccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)O)cnn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.46
F11 P03951 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PDE4B Q07343 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
GAA P10253 1/20 0.38
SCD5 Q86SK9 2/20 0.38
SIRT5 Q9NXA8 1/20 0.37
FASN P49327 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2799813 0.91 SPR (0.43) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2798793 0.90 SPR (0.41) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2801085 0.88 PDE4B (0.44) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2803347 0.87 SPR (0.41) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2800844 0.86 SPR (0.42) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2801684 0.85 LMNA (0.45) SPRF11ALDH1A1PDE4BSIRT5
SCHEMBL2800955 0.85 SPR (0.41) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2801102 0.84 SIRT5 (0.50) SPRALDH1A1L3MBTL1TRPC3TRPC6
SCHEMBL2800506 0.84 KMT2A (0.41) SPRF11ALDH1A1PDE4BL3MBTL1
SCHEMBL2800090 0.84 ALDH1A1 (0.42) SPRF11ALDH1A1PDE4BL3MBTL1

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 2955/4885F11 2117/4885ALDH1A1 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.