SCHEMBL7084574

SCHEMBL7084574

CC1(C)C(C(=O)Nc2ccc(C(=O)C[N+](=O)[O-])c(Cl)c2)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK13 O15264 1/20 0.36

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
SCHEMBL7089037 0.82 KMT2A (0.55) MAPTKMT2ASMN1; SMN2POLBGAA
SCHEMBL7085764 0.77 TGM2 (0.49) MAPTKMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL7088685 0.76 CHRM2 (0.49) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7088400 0.76 NPC1 (0.58) MAPTKMT2ARAB9ANPC1POLB
SCHEMBL7091413 0.76 NPC1 (0.48) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7088785 0.75 SMN1; SMN2 (0.51) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7085070 0.74 EPHX2 (0.52) KMT2ASMN1; SMN2RAB9ANPC1GAA
SCHEMBL7085084 0.74 KMT2A (0.55) MAPTKMT2ASMN1; SMN2POLBGAA
SCHEMBL7085099 0.74 KMT2A (0.62) MAPTKMT2ASMN1; SMN2GAAHTT
SCHEMBL7090480 0.74 MEN1 (0.56) MAPTKMT2ASMN1; SMN2RAB9AGAA

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 6 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
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US 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 3657/4885SMN1; SMN2 4128/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 MAPT 2260/4885KMT2A 1302/4885SMN1; SMN2 3323/4885

“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.