SCHEMBL2800878

SCHEMBL2800878

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC(c2cccs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GSK3B P49841 3/20 0.36
ADORA2B P29275 2/20 0.36
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TRPA1 O75762 1/20 0.35
SLC6A7 Q99884 1/20 0.35
GRIN2B Q13224 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL2801535 0.91 ALDH1A1 (0.40) TP53BP1L3MBTL3L3MBTL1GLAALDH1A1
SCHEMBL2802845 0.89 STAT6 (0.41) TP53BP1L3MBTL3L3MBTL1ALDH1A1AXL
SCHEMBL2800647 0.86 NPC1 (0.39) L3MBTL1GLAALDH1A1EGLN1
SCHEMBL2801428 0.86 ALDH1A1 (0.39) GLAALDH1A1AXLFLT3TYRO3
SCHEMBL2801948 0.85 CHRM4 (0.42) TP53BP1L3MBTL3L3MBTL1ALDH1A1AXL
SCHEMBL2801418 0.85 CHRM4 (0.42) ALDH1A1KDM4EEGLN1TRPA1TUBB4A
SCHEMBL2800587 0.85 STAT6 (0.42) TP53BP1L3MBTL3L3MBTL1ALDH1A1AXL
SCHEMBL2800526 0.85 AXL (0.43) TP53BP1L3MBTL3L3MBTL1ALDH1A1AXL
SCHEMBL2801457 0.83 AXL (0.40) TP53BP1L3MBTL3L3MBTL1AXLFLT3
SCHEMBL2801439 0.83 ALDH1A1 (0.51) ALDH1A1AXLFLT3TYRO3MERTK

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 TP53BP1 943/4885L3MBTL3 4153/4885L3MBTL1 3733/4885

“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.