SCHEMBL7089037

SCHEMBL7089037

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.55
RORC P51449 3/20 0.48
POLB P06746 1/20 0.47
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
IDO1 P14902 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
SCHEMBL7085041 0.90 KMT2A (0.50) KMT2AMAPTRORCPOLBGAA
SCHEMBL7090489 0.84 RORC (0.47) KMT2AMAPTRORCSMN1; SMN2MEN1
SCHEMBL7085764 0.83 TGM2 (0.49) KMT2AMAPTSMN1; SMN2
SCHEMBL7088685 0.82 CHRM2 (0.49) KMT2AMAPTPOLBGAASMN1; SMN2
SCHEMBL7084574 0.82 MAPT (0.41) KMT2AMAPTPOLBGAAHTT
SCHEMBL7088400 0.82 NPC1 (0.58) KMT2AMAPTPOLBMEN1PKM
SCHEMBL7091413 0.82 NPC1 (0.48) KMT2AMAPTHTTSMN1; SMN2MEN1
SCHEMBL7088785 0.81 SMN1; SMN2 (0.51) KMT2AMAPTPOLBHTTSMN1; SMN2
SCHEMBL11439273 0.81 ALDH1A1 (0.58) KMT2AMAPTRORCPOLBSMN1; SMN2
SCHEMBL9652284 0.81 SMN1; SMN2 (0.48) KMT2AMAPTPOLBHTTSMN1; SMN2

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 3657/4885MAPT 3746/4885RORC 2368/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 KMT2A 1302/4885MAPT 2260/4885RORC 2018/4885

“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.