SCHEMBL20985652

SCHEMBL20985652

O=C(CCCBr)N1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.63
KMT2A Q03164 4/20 0.62
HPGD P15428 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL20985659 0.98 ATM (0.74) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL4865397 0.96 ATM (0.71) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL10590320 0.94 ATM (0.68) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL9699192 0.94 ATM (0.68) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL11408812 0.94 ATM (0.68) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL10590368 0.92 ATM (0.65) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL20985713 0.88 ALDH1A1 (0.81) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL16093106 0.86 ALDH1A1 (0.77) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL6927269 0.86 MEN1 (0.70) ATML3MBTL1KMT2AHPGDTDP1
SCHEMBL28366947 0.85 ATM (0.85) ATML3MBTL1KMT2AHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US 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 (4 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ATM 1013/4885L3MBTL1 1858/4885KMT2A 3060/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ATM 1013/4885L3MBTL1 1858/4885KMT2A 3060/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB ATM 1013/4885L3MBTL1 1858/4885KMT2A 3060/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ATM 1013/4885L3MBTL1 1858/4885KMT2A 3060/4885

“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.