SCHEMBL7125574

SCHEMBL7125574

CC(Br)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.61
MEN1 O00255 9/20 0.61
GAA P10253 2/20 0.59
LMNA P02545 4/20 0.58
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
TGM2 P21980 1/20 0.53
POLB P06746 3/20 0.53
MYOC Q99972 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NAMPT P43490 1/20 0.51
MITF O75030 1/20 0.51

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
SCHEMBL6918119 0.86 MAPT (0.70) KMT2AMEN1GAALMNAMAPT
SCHEMBL29111760 0.85 KMT2A (0.62) KMT2AMEN1GAALMNAMAPT
SCHEMBL29111851 0.85 KMT2A (0.62) KMT2AMEN1GAALMNAMAPT
SCHEMBL29111764 0.85 KMT2A (0.62) KMT2AMEN1GAALMNAMAPT
SCHEMBL3682694 0.84 HTT (0.55) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL987822 0.83 KMT2A (0.61) KMT2AMEN1GAALMNAMAPT
SCHEMBL10914836 0.83 KMT2A (0.61) KMT2AMEN1GAALMNAMAPT
SCHEMBL9259881 0.83 KMT2A (0.61) KMT2AMEN1GAALMNAMAPT
SCHEMBL27472284 0.83 KMT2A (0.63) KMT2AMEN1GAALMNAMAPT
Hydrochloric Acid SCHEMBL1895198 0.82 KMT2A (0.59) KMT2AMEN1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US 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-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 KMT2A 1302/4885MEN1 3542/4885GAA 998/4885

“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.