SCHEMBL19851896

SCHEMBL19851896

Nc1nc(I)nc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 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
SCHEMBL19996729 0.90 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19820133 0.90 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18608206 0.90 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21131754 0.83 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18630437 0.83 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL14768871 0.81 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19779304 0.80 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19772861 0.78 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL22430865 0.75 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24414086 0.75 MAPT (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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-11201295-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-12-14 US disclosed
US-20180040833-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-08 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-11201295-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CCNE2, CYP1A2 TDP1 3747/4885KMT2A 1058/4885SLC6A2 3932/4885
US-20180040833-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CCNE2, CYP1A2 TDP1 3747/4885KMT2A 1058/4885SLC6A2 3932/4885

“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.