SCHEMBL7006941

SCHEMBL7006941

CCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20625241 0.94 AKR1C3 (0.46) HTTPOLBNPC1CYP3A4PKM
SCHEMBL13785253 0.93 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2618863 0.93 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2150376 0.92 HTT (0.53) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL16067368 0.91 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL20631194 0.91 HTT (0.51) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL2468068 0.90 HTT (0.52) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL29620246 0.90 HTT (0.52) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL875229 0.89 POLB (0.54) HTTPOLBNPC1CYP3A4LMNA
SCHEMBL29546147 0.89 HTT (0.56) HTTPOLBNPC1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256469-B Pyrrolobenzodiazepines and conjugates thereof 麦迪穆有限责任公司 2022-05-17 CN disclosed
CN-108463253-B Pyrrolobenzodiazepine conjugates 麦迪穆有限责任公司 2022-03-04 CN disclosed
CN-109069663-B Pyrrolobenzodiazepine conjugates 麦迪穆有限责任公司 2022-03-04 CN disclosed
CN-109843335-B Pyrrolobenzodiazepine conjugates 麦迪穆有限责任公司 2021-07-30 CN disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
WO-2019010165-A1 BENZAMIDE INHIBITORS OF BACTERICAL LIPOPROTEIN SIGNAL PEPTIDASE THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-10 WO disclosed
WO-2019010165-A1 BENZAMIDE INHIBITORS OF BACTERICAL LIPOPROTEIN SIGNAL PEPTIDASE THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-10 WO disclosed
US-20030195196-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-10-16 US disclosed
EP-1193270-B1 Pyrrolobenzodiazepines SPIROGEN LTD (GB) 2003-05-14 EP disclosed
EP-1109811-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012507-A2 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO 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 (2 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 HTT 3406/4885POLB 3107/4885NPC1 239/4885
US-20030195196-A1 Pyrrolobenzodiazepines CNR2, CNR1, HRH3 HTT 2392/4885POLB 3794/4885NPC1 434/4885

“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.