SCHEMBL7088124

SCHEMBL7088124

Cc1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)C[N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.47
P2RX4 Q99571 1/20 0.46
KCNJ5 P48544 4/20 0.45
KCNJ3 P48549 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KCNJ6 P48051 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 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
SCHEMBL7085104 0.91 KMT2A (0.51) KMT2AMEN1KDM4ETDP1P2RX4
SCHEMBL7089003 0.88 KMT2A (0.53) KMT2AMEN1KDM4ETDP1P2RX4
SCHEMBL7088236 0.85 KMT2A (0.50) KMT2AMEN1KDM4ETDP1P2RX4
SCHEMBL7084865 0.81 GAA (0.53) KMT2AMEN1KDM4EP2RX4ALDH1A1
SCHEMBL7084597 0.81 KCNJ5 (0.55) KMT2AMEN1KDM4EP2RX4KCNJ5
SCHEMBL7085041 0.80 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7085598 0.79 SMN1; SMN2 (0.48) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL7120711 0.77 MEN1 (0.57) KMT2AMEN1KDM4ETDP1P2RX4
SCHEMBL7085428 0.76 KCNJ5 (0.55) KMT2AMEN1KDM4EP2RX4KCNJ5
SCHEMBL27510726 0.76 KMT2A (0.48) KMT2AMEN1KDM4ETDP1P2RX4

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
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
CN-1257474-A New nitromethylketone compounds, process for their preparation and compositions containing them MERCK PATENT GMBH (DE) 2000-06-21 CN disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 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 (2 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 KMT2A 3657/4885MEN1 3488/4885KDM4E 1913/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 KMT2A 1302/4885MEN1 3542/4885KDM4E 329/4885

“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.