SCHEMBL5962901

SCHEMBL5962901

O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1CO)OCC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5962712 0.86 CHRM3 (0.39) CHRM3POLBHTTTRPV1
SCHEMBL5966271 0.80 SPHK2 (0.38) CHRM3HTTTRPV1
SCHEMBL4408525 0.80 ROCK2 (0.42) CHRM3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL13594815 0.80 ROCK2 (0.42) CHRM3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5962846 0.78 EPHX2 (0.44) CHRM3
SCHEMBL5962933 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBPKMHTT
SCHEMBL13594857 0.77 KDM4E (0.47) CHRM3SMN1; SMN2ALDH1A1PKMHTT
SCHEMBL4409328 0.77 KDM4E (0.47) CHRM3SMN1; SMN2ALDH1A1PKMHTT
SCHEMBL5963063 0.75 LMNA (0.38) CHRM3POLBRAB9AL3MBTL1TRPV1
SCHEMBL13594814 0.74 CHRM3 (0.42) CHRM3SMN1; SMN2ALDH1A1NPC1L3MBTL1

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 CHRM3 99/4885SMN1; SMN2 2936/4885ALDH1A1 4469/4885

“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.