SCHEMBL6994686

SCHEMBL6994686

COC(=O)C1=NN=C(c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRIA2 P42262 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
TERT O14746 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SLC6A3 Q01959 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL7167530 0.88 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7001048 0.86 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7000027 0.85 MEN1 (0.65) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7492463 0.82 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7491310 0.81 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7498649 0.81 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7226781 0.80 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7163609 0.79 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7225773 0.79 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7236400 0.79 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003749-B1 8-SUBSTITUTED-9H-1,3-DIOXOLO/4,5-h/2,3/BENZODIAZEPINE DERIVATES, AS AMPA/KAINATERECEPTOR INHIBITORS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 EP disclosed
US-6600036-B2 Treating diseases of the central nervous system. SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-6562810-B1 Competitive AMPA/kainite antagonist properties making them useful in the treatment of diseases where inhibition of the AMPA/kainite receptors may a favorable effect EGIS GYOGYSZERGYAR RT. (HU) 2003-05-13 US disclosed
US-20020052364-A1 Condensed 2,3-benzodiazepine derivatives and their use as AMPA-receptor inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
EP-0888356-B1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AG (DE) 2002-03-20 EP disclosed
US-6323197-B1 NON-COMPETITIVE INHIBITING OF THE AMPA RECEPTORS, THESE COMPOUNDS CAN BE USED AS MEDICAMENTS FOR TREATMENT OF THE CENTRAL NERVOUS SYSTEM SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
EP-0888356-A1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997028163-A1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-07 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-20020052364-A1 Condensed 2,3-benzodiazepine derivatives and their use as AMPA-receptor inhibitors GABRE, GABRA2, GABRB2 MAPT 999/4885KMT2A 1184/4885MEN1 4186/4885

“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.