SCHEMBL17486691

SCHEMBL17486691

COC(=O)[C@@H]1C[C@@H](C)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3C(C)=O)cc2C)cc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 2/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19035896 0.86 MMP2 (0.37) LMNAPKMKDM4ENPC1CYP3A4
SCHEMBL17486690 0.84 MMP2 (0.39) LMNAPKMKDM4ENPC1CYP3A4
SCHEMBL17476471 0.84 KDM4E (0.39) LMNAKDM4EMEN1KMT2AHPGD
SCHEMBL17476470 0.84 KDM4E (0.39) LMNAKDM4EMEN1KMT2AHPGD
SCHEMBL12347419 0.82 MMP2 (0.40) LMNAPKMKDM4ENPC1CYP3A4
SCHEMBL17231208 0.80 MMP2 (0.34)
SCHEMBL14682659 0.80 MMP2 (0.39) LMNAPKMKDM4ENPC1CYP3A4
SCHEMBL14682655 0.79 LMNA (0.31) LMNAPOLB
SCHEMBL12222033 0.77 MMP2 (0.39) LMNAPKMKDM4ENPC1CYP3A4
SCHEMBL2297429 0.77 MMP2 (0.44) LMNAPKMKDM4ENPC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2016-02-04 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-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF GABRA3, GABRA4, AVPR1B LMNA 2301/4885PKM 1828/4885KDM4E 2450/4885

“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.