SCHEMBL2801535

SCHEMBL2801535

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4cccs4)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SRC P12931 1/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
ADORA2B P29275 2/20 0.37
ADORA2A P29274 2/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A7 Q99884 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 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
SCHEMBL2800878 0.91 TP53BP1 (0.38) ALDH1A1KDM4EGLATHRBL3MBTL1
SCHEMBL2801428 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EGLATHRBADORA2B
SCHEMBL2800936 0.88 STAT6 (0.42) ALDH1A1THRBL3MBTL1SRCTP53BP1
SCHEMBL2800576 0.86 THRB (0.39) THRBL3MBTL1SRCTP53BP1L3MBTL3
SCHEMBL2802021 0.85 SPR (0.41) ALDH1A1KDM4EGLAL3MBTL1EGLN1
SCHEMBL2801054 0.84 CCR1 (0.45) THRBSMN1; SMN2
SCHEMBL2800838 0.84 CHRM4 (0.43) ALDH1A1KDM4EADORA2AADORA3EGLN1
SCHEMBL2800990 0.84 AXL (0.42) ALDH1A1THRBSRCAXLFLT3
SCHEMBL2798414 0.84 STAT6 (0.43) ALDH1A1KDM4ETHRBADORA2AAXL
SCHEMBL2800901 0.84 CHRM4 (0.43) ALDH1A1THRBAXLFLT3TYRO3

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 ALDH1A1 243/4885KDM4E 3180/4885GLA 35/4885

“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.