SCHEMBL20201221

SCHEMBL20201221

Cc1nnc(C)c(C(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPY1R P25929 1/20 0.44
RECQL P46063 1/20 0.44
NPY2R P49146 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
SCHEMBL21424372 0.88 TDP1 (0.50) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL21572853 0.86 TDP1 (0.58) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL18573740 0.86 RAB9A (0.48) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL19684946 0.86 TDP1 (0.47) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL19928470 0.83 TDP1 (0.54) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL26393244 0.83 TDP1 (0.54) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL20757441 0.83 TDP1 (0.47) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL19772868 0.82 TDP1 (0.53) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL25541324 0.82 TDP1 (0.53) TDP1KMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL17657660 0.81 TDP1 (0.51) TDP1KMT2ARAB9ATSHRSMN1; SMN2

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 6 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-20210246368-A1 THIN FILM AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-08-12 US disclosed
US-10923664-B2 Composition, thin film, and organic light emitting device including composition and thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-02-16 US disclosed
US-20200144517-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-05-07 US disclosed
US-20190305229-A1 COMPOSITION, THIN FILM, AND ORGANIC LIGHT EMITTING DEVICE INCLUDING COMPOSITION AND THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-03 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 (5 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-20190305229-A1 COMPOSITION, THIN FILM, AND ORGANIC LIGHT EMITTING DEVICE INCLUDING COMPOSITION AND THIN FILM EXOC3, EXOC1, EXOC4 TDP1 52/4885KMT2A 1215/4885RAB9A 2191/4885
US-10923664-B2 Composition, thin film, and organic light emitting device including composition and thin film EXOC3, EXOC1, EXOC4 TDP1 52/4885KMT2A 1215/4885RAB9A 2191/4885
US-20200144517-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 TDP1 2593/4885KMT2A 1536/4885RAB9A 2968/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 TDP1 2574/4885KMT2A 1406/4885RAB9A 2766/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 TDP1 2574/4885KMT2A 1406/4885RAB9A 2766/4885

“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.