SCHEMBL29258995

SCHEMBL29258995

O=C1NC(c2cccc([N+](=O)[O-])c2)Nc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
GAA P10253 4/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
GPR68 Q15743 1/20 0.41
SNCA P37840 1/20 0.41
POLB P06746 1/20 0.41
PBRM1 Q86U86 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
SCHEMBL30310963 1.00 KMT2A (0.57) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL11286970 0.80 TNKS2 (0.58) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL29258994 0.77 KDM4E (0.74) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL31702781 0.75 KDM4E (0.74) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL6124127 0.73 KMT2A (0.52) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL13035690 0.73 MEN1 (1.00) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL30073748 0.73 MAPT (0.68) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL28837989 0.73 MAPT (0.68) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL7859229 0.70 GAA (0.65) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL6124233 0.69 TNKS2 (0.49) KMT2AMEN1GAAMAPTKDM4E

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-20240398821-A1 FLAVONOID DERIVATIVES WITH GABAA RECEPTOR ACTIVITY AND METHODS OF USE UNIV RUTGERS (US) 2024-12-05 US disclosed
CN-118354770-A Flavonoid derivatives having GABAA receptor activity and methods of use 罗特格斯新泽西州立大学 2024-07-16 CN 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-20240398821-A1 FLAVONOID DERIVATIVES WITH GABAA RECEPTOR ACTIVITY AND METHODS OF USE GABRB1, GABRB2, GABBR1 KMT2A 1898/4885MEN1 4591/4885GAA 1983/4885

“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.