SCHEMBL17570932

SCHEMBL17570932

COC(=O)CCCCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(CBr)cc(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
PTPRC P08575 3/20 0.41
PTPN13 Q12923 1/20 0.41
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL17570931 0.88 RECQL (0.47) RECQLL3MBTL1HDAC8PTPRCPTPN13
SCHEMBL17570906 0.81 RECQL (0.43) RECQLL3MBTL1HDAC8TRPV1
SCHEMBL17616804 0.76 PTPRC (0.38) L3MBTL1HDAC8PTPRCPTPN13LMNA
SCHEMBL17616878 0.76 PTPRC (0.38) L3MBTL1HDAC8PTPRCPTPN13LMNA
SCHEMBL19257261 0.76 PTPRC (0.38) L3MBTL1HDAC8PTPRCPTPN13LMNA
SCHEMBL19463069 0.75 HDAC8 (0.54) L3MBTL1HDAC8PTPRCPTPN13HPGD
SCHEMBL29093675 0.74 HDAC8 (0.60) L3MBTL1HDAC8PTPRCPTPN13HPGD
SCHEMBL18411799 0.74 RECQL (0.40) RECQLL3MBTL1HDAC8PTPRCPTPN13
SCHEMBL18913933 0.74 RECQL (0.40) RECQLL3MBTL1HDAC8PTPRCPTPN13
SCHEMBL22064351 0.73 ALDH1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
EP-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 EP disclosed
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-03-24 US disclosed
WO-2016036801-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2016-03-10 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 (3 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-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 RECQL 3762/4885L3MBTL1 2374/4885HDAC8 1600/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 RECQL 3762/4885L3MBTL1 2374/4885HDAC8 1600/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 RECQL 3762/4885L3MBTL1 2374/4885HDAC8 1600/4885

“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.