SCHEMBL20201201

SCHEMBL20201201

Cc1cnc(C(=O)OCc2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
TDP1 Q9NUW8 5/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TSHR P16473 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL20305864 0.83 TDP1 (0.54) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL21538018 0.82 TDP1 (0.66) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL22005504 0.81 TDP1 (0.56) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL24576746 0.80 TDP1 (0.54) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL20348533 0.78 TDP1 (0.56) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL20305866 0.78 TDP1 (0.49) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL15075637 0.78 POLB (0.85) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL20201218 0.77 TDP1 (0.47) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL14788645 0.77 TDP1 (0.54) POLBTDP1KMT2ASLC6A2SLC6A3
SCHEMBL20305860 0.77 L3MBTL1 (0.52) POLBTDP1KMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
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 (3 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-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A POLB 4780/4885TDP1 3889/4885KMT2A 1142/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 POLB 2825/4885TDP1 2574/4885KMT2A 1406/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 POLB 2825/4885TDP1 2574/4885KMT2A 1406/4885

“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.