SCHEMBL4156608

SCHEMBL4156608

Cc1cc(C2=NNC(C)Cc3cc4c(cc32)OCO4)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 5/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
NFKB1 P19838 2/20 0.64
CYP2C19 P33261 2/20 0.64
HIF1A Q16665 2/20 0.64
LMNA P02545 2/20 0.64
BLM P54132 2/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.64
PMP22 Q01453 1/20 0.64
GRIA2 P42262 4/20 0.41
GRIA1 P42261 1/20 0.39
ACHE P22303 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
SCHEMBL4169765 1.00 MEN1 (0.64) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4156605 1.00 MEN1 (0.64) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5424614 0.89 MAPT (0.62) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5424606 0.89 MAPT (0.62) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5427228 0.88 KMT2A (0.60) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5427234 0.88 KMT2A (0.60) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5416313 0.86 MAPT (0.71) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5416306 0.86 MAPT (0.71) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4165339 0.83 CYP3A4 (0.76) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4165350 0.83 CYP3A4 (0.76) MEN1KMT2AMAPTCYP1A2CYP3A4

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 9 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
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
US-7053082-B1 2,3-benzodiazepine derivatives EGIS GYOGYSZERGYAR RT. (HU) 2006-05-30 US disclosed
EP-1200442-B8 2,3-BENZODIAZEPINE DERIVATIVES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-08-20 EP disclosed
EP-1200442-B1 2,3-BENZODIAZEPINE DERIVATIVES EGIS GY GYSZERGY R RT (HU) 2003-06-25 EP disclosed
EP-1200442-A1 2,3-BENZODIAZEPINE DERIVATIVES Egis Gyogyszergyar Rt. (HU) 2002-05-02 EP disclosed
WO-2001004122-A2 NEW 2,3-BENZODIAZEPINE DERIVATIVES EGIS Gyógyszergyár Rt. (HU) 2001-01-18 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 MEN1 4648/4885KMT2A 925/4885MAPT 1366/4885

“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.