SCHEMBL7086047

SCHEMBL7086047

O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
KMT2A Q03164 5/20 0.73
MEN1 O00255 3/20 0.73
NR1H4 Q96RI1 1/20 0.61
ALOX5 P09917 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
GAA P10253 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.50

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
SCHEMBL7091491 0.89 GAA (0.69) MAPTKMT2AMEN1ALOX5NPC1
SCHEMBL7091499 0.83 ALOX5 (0.58) MAPTKMT2AMEN1ALOX5NPC1
SCHEMBL27529813 0.82 ALOX5 (0.57) MAPTKMT2AMEN1ALOX5NPC1
SCHEMBL8925933 0.81 ALOX5 (0.60) MAPTKMT2AMEN1NR1H4ALOX5
SCHEMBL31185239 0.80 ALOX5 (0.58) MAPTKMT2AMEN1ALOX5NPC1
SCHEMBL17898569 0.80 MAPT (0.55) MAPTKMT2AMEN1NR1H4NPC1
SCHEMBL5064595 0.80 TDP1 (0.60) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL222270 0.79 TDP1 (0.67) MAPTKMT2AMEN1NR1H4NPC1
SCHEMBL7074457 0.79 KMT2A (0.57) MAPTKMT2AMEN1NR1H4NPC1
SCHEMBL7219428 0.79 MAPT (0.67) MAPTKMT2AMEN1NR1H4NPC1

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 7 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
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 MAPT 3746/4885KMT2A 3657/4885MEN1 3488/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 MAPT 2260/4885KMT2A 1302/4885MEN1 3542/4885

“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.