SCHEMBL5367360

SCHEMBL5367360

COc1cc([N+](=O)[O-])ccc1N1C(=O)C2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5371284 0.83 ALDH1A1 (0.45) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL5375857 0.79 NR4A1 (0.47) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL85569 0.78 AR (0.40) ALDH1A1MAPK1KMT2A
SCHEMBL25797050 0.76 MAPT (0.59) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL85567 0.74 KMT2A (0.47) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL5370534 0.73 TDP1 (0.56) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL15540847 0.73 ALDH1A1 (0.58) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL15244056 0.72 ALDH1A1 (0.57) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL2075289 0.72 ALDH1A1 (0.57) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL10036263 0.72 MAPT (0.54) HTTALDH1A1LMNAMAPTMAPK1

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-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
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 HTT 2943/4885ALDH1A1 489/4885LMNA 2132/4885

“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.