SCHEMBL29625822

SCHEMBL29625822

COc1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.65
TNKS O95271 7/20 0.65
TNKS2 Q9H2K2 7/20 0.65
PARP2 Q9UGN5 4/20 0.65
ALDH1A1 P00352 2/20 0.65
TP53 P04637 2/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX15 P16050 1/20 0.65
CYP2C19 P33261 1/20 0.65
CBFB Q13951 1/20 0.65
DHODH Q02127 3/20 0.57
PARP1 P09874 6/20 0.52
GAA P10253 3/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52

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
SCHEMBL28027630 1.00 HPSE (0.65) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL1170818 0.88 CBFB (0.69) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL20597842 0.88 MGAM (0.68) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL7553357 0.87 DHODH (0.55) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL3969470 0.84 DHODH (0.52) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL31027953 0.84 HPSE (0.62) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL21705586 0.84 HPSE (0.62) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL7261542 0.83 DHODH (0.49) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL8817550 0.82 PARP1 (0.63) HPSETNKSTNKS2PARP2ALDH1A1
SCHEMBL6653651 0.81 TNKS (0.51) HPSETNKSTNKS2PARP2ALDH1A1

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-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME DYDEN CORPORATION (JP) 2022-10-27 US disclosed
CN-114502554-A Metal complex and electron transport material using the same 大电株式会社 2022-05-13 CN 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-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME RB1, RER1, RRS1 HPSE 3750/4885TNKS 3167/4885TNKS2 2966/4885

“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.