SCHEMBL2800807

SCHEMBL2800807

Cc1c(Cl)cccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(Br)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.43
MGLL Q99685 4/20 0.41
SPR P35270 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
F11 P03951 1/20 0.40
SCN9A Q15858 1/20 0.39
LMNA P02545 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL2798420 0.93 SIRT5 (0.49) SIRT5MGLLSPREGLN1SIRT2
SCHEMBL2801684 0.91 LMNA (0.45) SIRT5MGLLSPREGLN1F11
SCHEMBL2803133 0.91 ALDH1A1 (0.43) SIRT5MGLLSPREGLN1F11
SCHEMBL2799653 0.89 NPC1 (0.42) SIRT5MGLLSPRF11KMT2A
SCHEMBL2801671 0.87 ALDH1A1 (0.43) SIRT5MGLLSPREGLN1LMNA
SCHEMBL2799808 0.86 MGLL (0.40) SIRT5MGLLSPRF11LMNA
SCHEMBL2801106 0.86 ALDH1A1 (0.46) SIRT5MGLLSPREGLN1LMNA
SCHEMBL2801190 0.85 TP53 (0.43) SIRT5MGLLSPRF11LMNA
SCHEMBL2799813 0.85 SPR (0.43) SIRT5MGLLSPRF11LMNA
SCHEMBL2802315 0.85 CASP1 (0.49) MGLLMEN1MAPTCYP2C9HPGD

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 SIRT5 2237/4885MGLL 4369/4885SPR 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.