SCHEMBL4168319

SCHEMBL4168319

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.62
GRIA1 P42261 2/20 0.62
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C9 P11712 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 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
SCHEMBL4168322 1.00 GRIA2 (0.62) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4177208 1.00 GRIA2 (0.62) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4170430 0.90 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4163394 0.90 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4170440 0.90 GRIA2 (0.66) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL8792572 0.89 GRIA2 (0.75) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL5881321 0.88 GRIA2 (0.81) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4164934 0.86 GRIA2 (0.55) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4160741 0.86 GRIA2 (0.55) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4160736 0.86 GRIA2 (0.55) GRIA2GRIA1MEN1KMT2ACYP1A2

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-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-17 US claimed
EP-1979308-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS Gyógyszergyár Nyrt (HU) 2008-10-15 EP claimed
WO-2007077469-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYÓGYSZERGYÁR (HU) 2007-07-12 WO claimed
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 GRIA2 47/4885GRIA1 75/4885MEN1 4648/4885

“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.