SCHEMBL10052099

SCHEMBL10052099

O=C1c2ccccc2C(=O)N1CCC(COCc1ccccc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
CASP3 P42574 2/20 0.48
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 4/20 0.40

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
SCHEMBL29811681 0.79 MAPK1 (1.00) MAPK1MAPTALDH1A1RAB9ATSHR
SCHEMBL8935897 0.79 MAPK1 (0.70) MAPK1CASP3TDP1L3MBTL1ALDH1A1
SCHEMBL8935936 0.79 MAPK1 (1.00) MAPK1MAPTALDH1A1RAB9ATSHR
SCHEMBL23144183 0.77 MAPK1 (0.67) MAPK1CASP3TDP1L3MBTL1RAB9A
SCHEMBL9575717 0.77 MAPK1 (0.67) MAPK1CASP3TDP1L3MBTL1MAPT
SCHEMBL816698 0.76 MAPK1 (0.57) MAPK1CASP3TDP1L3MBTL1MAPT
SCHEMBL10052097 0.75 ALDH1A1 (0.50) MAPK1CASP3MAPTALDH1A1NPSR1
SCHEMBL6043712 0.74 MAPT (0.64) MAPK1CASP3TDP1L3MBTL1MAPT
SCHEMBL26118448 0.73 CASP3 (0.51) MAPK1CASP3TDP1L3MBTL1MAPT
SCHEMBL30630076 0.73 CASP3 (0.51) MAPK1CASP3TDP1L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040761-B2 Branched hetero polyethylene glycol and intermediate NOF CORPORATION (JP) 2018-08-07 US disclosed
US-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE NOF CORPORATION (JP) 2012-03-29 US 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 (2 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-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE F12, FGB, F13B MAPK1 2069/4885CASP3 3004/4885TDP1 4248/4885
US-10040761-B2 Branched hetero polyethylene glycol and intermediate F12, FGB, F10 MAPK1 1969/4885CASP3 2794/4885TDP1 4217/4885

“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.