SCHEMBL5881699

SCHEMBL5881699

COC(=O)Nc1ccc(NCC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.43
HCAR3 P49019 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL13876933 0.94 KMT2A (0.51) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL10048260 0.93 MAPT (0.50) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL10048482 0.90 MAPT (0.44) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL5881710 0.88 HTT (0.64) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL13885821 0.83 MAPT (0.40) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL3966385 0.82 HTT (0.60) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL14523950 0.82 MAPT (0.48) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL14116494 0.82 MAPT (0.48) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1609171 0.81 HTT (0.58) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL3928138 0.81 MAPT (0.51) MAPTALDH1A1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 MAPT 3276/4885ALDH1A1 1314/4885KMT2A 4753/4885

“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.