SCHEMBL7086173

SCHEMBL7086173

O=C(C[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
PTPRC P08575 1/20 0.50
PTGS1 P23219 1/20 0.50
F2R P25116 1/20 0.48
PTGES O14684 6/20 0.47
RORC P51449 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
STK39 Q9UEW8 1/20 0.45
P2RX1 P51575 2/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL7085428 0.84 KCNJ5 (0.55) RORC
SCHEMBL7088400 0.82 NPC1 (0.58) KCNK3KCNK9GRM4
SCHEMBL7223242 0.78 ABCC9 (0.40)
SCHEMBL7085218 0.78 CTNNB1 (0.51) PTGS1RORC
SCHEMBL7091413 0.77 NPC1 (0.48) P2RX1
SCHEMBL27510728 0.77 TNF (0.41) RORC
SCHEMBL7085359 0.77 PIN1 (0.47)
SCHEMBL7089037 0.76 KMT2A (0.55) RORC
SCHEMBL28744461 0.76 PTPRC (0.50) KCNK3KCNK9PTPRCPTGS1F2R
SCHEMBL8211752 0.75 RAB9A (0.45)

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 KCNK3 2755/4885KCNK9 3412/4885PTPRC 1254/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 KCNK3 1348/4885KCNK9 1724/4885PTPRC 1893/4885

“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.