SCHEMBL20529536

SCHEMBL20529536

CC(NC(=O)C(C)NC(=O)CCOCCOCCOCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FAAH O00519 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MME P08473 2/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ CASP1 P29466 3/20 0.32
▸ LTA4H P09960 3/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ ECE1 P42892 1/20 0.32
▸ TSHR P16473 1/20 0.30

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
SCHEMBL23451360 1.00 ALDH1A1 (0.35) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL21614000 0.99 ALDH1A1 (0.35) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL24837480 0.91 FAAH (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL23071873 0.89 CASP1 (0.35) ALDH1A1MAPTMMEACECPA1
SCHEMBL20529430 0.84 HRH3 (0.33) MAPT
SCHEMBL20677186 0.81 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL19401861 0.81 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL20677185 0.81 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL31240223 0.81 GLP1R (0.32) —
SCHEMBL20529554 0.80 ALDH1A1 (0.38) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 — — US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 — — US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 — — US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US disclosed
EP-3818062-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES Hangzhou Dac Biotech Co., Ltd (CN) 2021-05-12 — — EP disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 — — US disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 — — EP disclosed
WO-2020006722-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-01-09 — — WO disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 — — 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 (6 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B ALDH1A1 2260/4885MAPT 2303/4885FAAH 2127/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A ALDH1A1 60/4885MAPT 2442/4885FAAH 1871/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885

“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.

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