SCHEMBL14439895

SCHEMBL14439895

CCCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@H]2C(=O)OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
ANPEP P15144 2/20 0.43
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3345460 0.95 MMP2 (0.45) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL2148264 0.95 MMP2 (0.45) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL18657109 0.95 MMP2 (0.45) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL2297429 0.94 MMP2 (0.44) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL14685401 0.94 MMP2 (0.44) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL19657862 0.92 MEN1 (0.42) MMP2ANPEPNPC1CYP3A4MEN1
SCHEMBL12284558 0.91 ANPEP (0.50) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL1121964 0.91 ANPEP (0.50) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL5926169 0.90 ANPEP (0.41) MMP2ANPEPHTTNPC1CYP3A4
SCHEMBL13512916 0.90 ANPEP (0.41) MMP2ANPEPHTTNPC1CYP3A4

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-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-08-16 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-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines CBR3, CBR1, CYCS MMP2 4274/4885ANPEP 4349/4885HTT 1605/4885

“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.