SCHEMBL5379570

SCHEMBL5379570

CC1(C)CCC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.45
LMNA P02545 2/20 0.44
PARL Q9H300 1/20 0.44
MAPT P10636 4/20 0.44
CRBN Q96SW2 2/20 0.43
SCN2A Q99250 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9729979 0.85 PARL (0.45) SIRT6LMNAPARLMAPTCRBN
SCHEMBL17055353 0.80 MAPT (0.49) PARLMAPTPOLBMEN1KMT2A
SCHEMBL8305604 0.80 HTT (0.45) LMNAMAPTALDH1A1POLBTNKS
SCHEMBL29348929 0.78 MMP13 (0.58) ALDH1A1POLBTNKSTNKS2HSD17B10
SCHEMBL5370939 0.78 TNKS (0.43) MAPTCRBNALDH1A1POLBMEN1
SCHEMBL2557016 0.75 SCN2A (0.58) SIRT6LMNAPARLMAPTSCN2A
SCHEMBL16701737 0.75 SIRT6 (0.46) SIRT6LMNAMAPTCRBNSCN2A
SCHEMBL6140490 0.73 POLB (0.57) SIRT6LMNAMAPTCRBNSCN2A
SCHEMBL6140639 0.73 MAPT (0.62) SIRT6LMNAPARLMAPTSCN2A
SCHEMBL7549606 0.73 MAPT (0.58) SIRT6LMNAPARLMAPTSCN2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (1 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 SIRT6 1612/4885LMNA 2132/4885PARL 2447/4885

“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.