SCHEMBL29634147

SCHEMBL29634147

CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccncc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.55
MUS81 Q96NY9 1/20 0.55
TOP2B Q02880 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
BLM P54132 4/20 0.44
TP53 P04637 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 2/20 0.44
MALT1 Q9UDY8 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EHMT2 Q96KQ7 2/20 0.42
CDC25B P30305 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL8788346 1.00 ECE1 (0.55) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL8788365 0.92 ECE1 (0.53) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL8788262 0.88 ECE1 (0.54) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL8788107 0.86 ECE1 (0.56) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL9197796 0.85 TOP2B (0.46) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL8791589 0.85 ECE1 (0.57) ECE1MUS81TOP2BSMN1; SMN2BLM
Hydrochloric Acid SCHEMBL9200372 0.84 TOP2B (0.46) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL8788938 0.83 ECE1 (0.57) ECE1MUS81TOP2BSMN1; SMN2BLM
SCHEMBL7557626 0.82 MALT1 (0.62) TOP2BSMN1; SMN2BLMMAPTMALT1
SCHEMBL31218590 0.82 MALT1 (0.62) TOP2BSMN1; SMN2BLMMAPTMALT1

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
EP-3226909-B1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2026-04-15 EP disclosed
US-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2022-09-29 US disclosed
EP-3986471-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS Ascendis Pharma A/S (DK) 2022-04-27 EP 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-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS NQO1, HNMT, PNMT ECE1 454/4885MUS81 2412/4885TOP2B 235/4885

“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.