SCHEMBL21765680

SCHEMBL21765680

O=C(CBr)N1CCCCN1C(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TRPA1 O75762 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL1037993 0.78
SCHEMBL21765685 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL772021 0.76 ATM (0.54) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL21765684 0.72 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL21765888 0.72 L3MBTL1 (0.41) ALDH1A1MEN1KMT2ATDP1ATM
SCHEMBL20129907 0.72
SCHEMBL27155224 0.71 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL8149192 0.71 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL23518566 0.67 MEN1 (0.43) ALDH1A1MEN1KMT2ATDP1ATM
SCHEMBL11581015 0.65 KDM4E (0.42) ALDH1A1HPGDMEN1KMT2ATDP1

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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 US disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 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 (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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 ALDH1A1 4780/4885HPGD 4326/4885MEN1 244/4885

“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.