SCHEMBL2801506

SCHEMBL2801506

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccccc3OCc3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.38
LRRK2 Q5S007 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
CASP1 P29466 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TPSAB1 Q15661 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
NMT1 P30419 1/20 0.34
CCR8 P51685 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
SCHEMBL2802383 0.92 HPGD (0.45) HPGDALDH1A1L3MBTL1CASP1MAPT
SCHEMBL2800605 0.89 MGLL (0.41) MGLLLRRK2HPGDALDH1A1L3MBTL1
SCHEMBL2803258 0.89 MAP3K7 (0.38) HPGDALDH1A1L3MBTL1CASP1LMNA
SCHEMBL2801510 0.88 EGLN1 (0.38) ALDH1A1L3MBTL1SIRT5
SCHEMBL2803213 0.88 NPC1 (0.40) ALDH1A1L3MBTL1SIRT5
SCHEMBL2800478 0.87 SIRT5 (0.46) MGLLHPGDALDH1A1TRPC6SMN1; SMN2
SCHEMBL2798787 0.86 TNF (0.36) MGLLALDH1A1L3MBTL1LMNASIRT5
SCHEMBL2803776 0.86 SPR (0.38) ALDH1A1L3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL2802343 0.86 JAK2 (0.38) MGLLALDH1A1L3MBTL1LMNATPSAB1
SCHEMBL2802824 0.86 STAT6 (0.39) MGLLALDH1A1L3MBTL1LMNASMN1; SMN2

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 MGLL 4369/4885LRRK2 4263/4885HPGD 589/4885

“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.