SCHEMBL21298564

SCHEMBL21298564

O=C1NCC=Nc2cc(C3CNc4ccccc4C(=O)N3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
TNKS2 Q9H2K2 6/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
TNKS O95271 2/20 0.34
PARP3 Q9Y6F1 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16057480 0.72 PARP11 (0.42) PARP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6124108 0.72 PARP1 (0.62) PARP1PARP2ALDH1A1KDM4EHSD17B10
SCHEMBL794250 0.71 PARP11 (0.44) PARP1GAAKMT2AMEN1MAPK1
SCHEMBL699630 0.64 NPC1 (0.40) PARP1ALDH1A1PKN1PKN2TNKS2
SCHEMBL30124040 0.63 NOS2 (0.40) PARP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL106149 0.61 LRRK2 (0.50) PARP1PARP2ALDH1A1KDM4EHSD17B10
SCHEMBL29380714 0.61 LRRK2 (0.50) PARP1PARP2ALDH1A1KDM4EHSD17B10
SCHEMBL23225430 0.60 PARP1 (0.39) PARP1PARP2KDM4EKMT2AMEN1
SCHEMBL12326317 0.59 PARP10 (0.38) PARP1ALDH1A1KDM4EPKN1PKN2
SCHEMBL14251056 0.58 NOS1 (0.49) PARP1PARP2KDM4EPKN1PKN2

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-10391181-B2 Cyclodextrin and antibody-drug conjugate formulations SEATTLE GENETICS, INC. (US) 2019-08-27 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-10391181-B2 Cyclodextrin and antibody-drug conjugate formulations CDR2, GABRA6, GABRA4 PARP1 4245/4885PARP2 4398/4885ALDH1A1 610/4885

“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.