SCHEMBL7088352

SCHEMBL7088352

COc1ccc(CC(=O)Nc2ccc(C(=O)C[N+](=O)[O-])c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
NLRP3 Q96P20 2/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
RAB9A P51151 1/20 0.50
NOD2 Q9HC29 1/20 0.48
KDR P35968 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7090480 0.88 MEN1 (0.56) SMN1; SMN2LMNANLRP3ALDH1A1MAPT
SCHEMBL7088364 0.88 MEN1 (0.58) SMN1; SMN2LMNANLRP3ALDH1A1MAPT
SCHEMBL7085099 0.86 KMT2A (0.62) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7091440 0.86 GAA (0.53) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7088706 0.85 MEN1 (0.60) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7084833 0.85 TNKS (0.52) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7088341 0.84 MEN1 (0.52) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7088259 0.84 ALDH1A1 (0.59) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7088628 0.83 MEN1 (0.52) LMNANLRP3ALDH1A1MAPTKMT2A
SCHEMBL7085782 0.81 MEN1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTKMT2A

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 SMN1; SMN2 4128/4885LMNA 1633/4885NLRP3 3580/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 SMN1; SMN2 3323/4885LMNA 578/4885NLRP3 2882/4885

“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.