SCHEMBL4910244

SCHEMBL4910244

O=C(CC(Nc1ccccc1[N+](=O)[O-])C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 3/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4A O75164 1/20 0.41
SLC15A1 P46059 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL4902372 0.88 SGMS2 (0.44) SGMS2RAB9AGAANPC1MEN1
SCHEMBL6404322 0.82 CYP1A2 (0.55) RAB9AGAANPC1MEN1KMT2A
SCHEMBL6695015 0.82 CYP1A2 (0.55) RAB9AGAANPC1MEN1KMT2A
SCHEMBL6404329 0.82 CYP1A2 (0.55) RAB9AGAANPC1MEN1KMT2A
SCHEMBL6615905 0.81 RAB9A (0.53) RAB9AGAANPC1MEN1KMT2A
SCHEMBL6615901 0.81 RAB9A (0.53) RAB9AGAANPC1MEN1KMT2A
SCHEMBL5582439 0.78 MEN1 (0.54) RAB9AGAANPC1MEN1KMT2A
SCHEMBL5582440 0.78 MEN1 (0.54) RAB9AGAANPC1MEN1KMT2A
SCHEMBL5582438 0.78 MEN1 (0.54) RAB9AGAANPC1MEN1KMT2A
SCHEMBL5774555 0.78 SGMS2 (0.47) SGMS2RAB9AGAANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 SGMS2 4071/4885RAB9A 1620/4885GAA 2281/4885

“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.