SCHEMBL19035896

SCHEMBL19035896

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C(=O)OC)cc2OC)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.37
ANPEP P15144 3/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 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
SCHEMBL2148264 0.89 MMP2 (0.45) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL3345460 0.89 MMP2 (0.45) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL18657109 0.89 MMP2 (0.45) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL17476471 0.87 KDM4E (0.39) MMP2ANPEPLMNAKDM4EALDH1A1
SCHEMBL17476470 0.87 KDM4E (0.39) MMP2ANPEPLMNAKDM4EALDH1A1
SCHEMBL14685401 0.86 MMP2 (0.44) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL2297429 0.86 MMP2 (0.44) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL17486691 0.86 LMNA (0.32) LMNANPC1CYP3A4KDM4EPOLB
SCHEMBL14439895 0.85 MMP2 (0.43) MMP2ANPEPLMNANPC1CYP3A4
SCHEMBL13512916 0.84 ANPEP (0.41) MMP2ANPEPLMNANPC1CYP3A4

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-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 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 (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-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 MMP2 4078/4885ANPEP 2918/4885LMNA 2469/4885

“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.