SCHEMBL4169852

SCHEMBL4169852

CC(=O)N1N=C(c2ccc([N+](=O)[O-])c(C)c2)c2cc3c(cc2C[C@H]1C)OCO3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
TERT O14746 9/20 0.47
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4164890 1.00 GRIA1 (0.58) GRIA1GRIA2TERTNPC1PKM
SCHEMBL4164893 1.00 GRIA1 (0.58) GRIA1GRIA2TERTNPC1PKM
SCHEMBL5881337 0.91 GRIA1 (0.71) GRIA1GRIA2TERTNPC1RAB9A
SCHEMBL4164934 0.90 GRIA2 (0.55) GRIA1GRIA2TERTNPC1RAB9A
SCHEMBL4160741 0.90 GRIA2 (0.55) GRIA1GRIA2TERTNPC1RAB9A
SCHEMBL4160736 0.90 GRIA2 (0.55) GRIA1GRIA2TERTNPC1RAB9A
SCHEMBL5423517 0.89 GRIA2 (0.56) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL5423513 0.89 GRIA2 (0.56) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL5414106 0.89 GRIA2 (0.54) GRIA1GRIA2TERTNPC1RAB9A
SCHEMBL5414101 0.89 GRIA2 (0.54) GRIA1GRIA2TERTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-17 US disclosed
EP-1979308-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS Gyógyszergyár Nyrt (HU) 2008-10-15 EP disclosed
WO-2007077469-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYÓGYSZERGYÁR (HU) 2007-07-12 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 (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-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS GABRA2, GABRA3, GABRB2 GRIA1 75/4885GRIA2 47/4885TERT 4880/4885

“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.