SCHEMBL17570906

SCHEMBL17570906

COC(=O)CCCCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)c1cc(CBr)cc(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.37
TRPV1 Q8NER1 6/20 0.35
EPHX2 P34913 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PPIB P23284 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17570887 0.89 RECQL (0.44) RECQLGAATRPV1HDAC8PPIB
SCHEMBL17570932 0.81 RECQL (0.46) RECQLTRPV1HDAC8L3MBTL1
SCHEMBL19656342 0.81 RECQL (0.39) RECQLGAAHDAC8L3MBTL1
SCHEMBL18924179 0.78 RECQL (0.36) RECQLGAAHDAC8
SCHEMBL17570931 0.70 RECQL (0.47) RECQLGAAHDAC8L3MBTL1
SCHEMBL22987343 0.68 RECQL (0.66) RECQLGAAEPHX2
SCHEMBL17570950 0.68 RECQL (0.66) RECQLGAAEPHX2
SCHEMBL25908042 0.68 RECQL (0.66) RECQLGAAEPHX2L3MBTL1
SCHEMBL31589533 0.67 RECQL (0.81) RECQLGAAEPHX2
SCHEMBL31589282 0.65 RECQL (0.78) RECQLGAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3762/4885GAA 2127/4885TRPV1 1591/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 RECQL 3762/4885GAA 2127/4885TRPV1 1591/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 RECQL 3762/4885GAA 2127/4885TRPV1 1591/4885

“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.