SCHEMBL5962933

SCHEMBL5962933

O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)OCC(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
GRIK1 P39086 1/20 0.49
MPO P05164 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.45
SERPINE1 P05121 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KCNK2 O95069 1/20 0.42

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
SCHEMBL10489728 0.85 SMN1; SMN2 (0.65) SMN1; SMN2GRIK1MAPTALDH1A1CYP3A4
SCHEMBL7196335 0.80 MAPT (0.51) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL10542066 0.78 ALDH1A1 (0.55) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL7835188 0.77 KDM4E (0.48) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL9507967 0.77 MAPT (0.51) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL5962901 0.77 CHRM3 (0.44) SMN1; SMN2MAPTALDH1A1PKMHTT
SCHEMBL7974577 0.76 ALDH1A1 (0.55) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL5156571 0.76 SMN1; SMN2 (0.67) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL14574207 0.75 MAPT (0.55) SMN1; SMN2GRIK1MPOMAPTALDH1A1
SCHEMBL12703765 0.75 KMT2A (0.61) SMN1; SMN2GRIK1MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP 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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 SMN1; SMN2 2936/4885GRIK1 1670/4885MPO 3487/4885

“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.