SCHEMBL19603733

SCHEMBL19603733

CC(CN)N1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GMNN O75496 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
FAAH O00519 5/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4418973 0.82 GABBR2 (0.35) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL24574686 0.79 ALDH1A1 (0.36) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL209740 0.78 MGLL (0.44) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19598997 0.77 MGLL (0.34) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL3482194 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL8095583 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL3470187 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL28709416 0.76 AOC3 (0.35) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL5081930 0.74 MGLL (0.36) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL1535503 0.74 GAA (0.42) MGLLALDH1A1LMNAMAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
WO-2021055865-A1 SELECTIVE DRUG RELEASE FROM INTERNALIZED CONJUGATES OF BIOLOGICALLY ACTIVE COMPOUNDS SEAGEN INC. (US) 2021-03-25 WO disclosed
US-20170326247-A1 ANTIBODY-DRUG CONJUGATES OF TUBULYSIN ANALOGS WITH ENHANCED STABILITY BRISTOL-MYERS SQUIBB COMPANY 2017-11-16 US disclosed
WO-2017196598-A1 ANTIBODY-DRUG CONJUGATES OF TUBULYSIN ANALOGS WITH ENHANCED STABILITY BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-16 WO 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-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 MGLL 4657/4885ALDH1A1 4270/4885LMNA 2991/4885
US-20170326247-A1 ANTIBODY-DRUG CONJUGATES OF TUBULYSIN ANALOGS WITH ENHANCED STABILITY NGLY1, TEK, MME MGLL 3847/4885ALDH1A1 3890/4885LMNA 3835/4885

“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.