SCHEMBL20201218

SCHEMBL20201218

Cc1cnc(C(=O)OCc2ccccc2)nc1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
NPY1R P25929 1/20 0.45
RECQL P46063 1/20 0.45
NPY2R P49146 1/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL25541333 0.87 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20782415 0.82 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20305864 0.81 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL22005558 0.79 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL19492479 0.79 RAB9A (0.49) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL25541336 0.78 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL24576746 0.78 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL19928469 0.78 ADORA3 (0.48) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL21572853 0.77 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL20201201 0.77 POLB (0.52) TDP1KMT2ASLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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 (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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 TDP1 2574/4885KMT2A 1406/4885SLC6A2 459/4885

“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.