SCHEMBL9944986

SCHEMBL9944986

CNc1cc(N2CCOCC2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9944825 0.91 POLB (0.44) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL9944912 0.91 POLB (0.51) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL9945028 0.88 POLB (0.44) ALDH1A1MAPTHTTPOLBMEN1
SCHEMBL9944949 0.87 POLB (0.43) ALDH1A1MAPTHTTPOLBMEN1
SCHEMBL9944931 0.87 POLB (0.43) ALDH1A1MAPTHTTPOLBMEN1
SCHEMBL9944967 0.87 POLB (0.43) ALDH1A1MAPTHTTGAAPOLB
SCHEMBL9945019 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL9944743 0.87 MAPT (0.42) ALDH1A1MAPTHTTPOLBMEN1
SCHEMBL9944885 0.87 ALDH1A1 (0.44) ALDH1A1MAPTHTTPOLBMEN1
SCHEMBL9944962 0.87 POLB (0.42) ALDH1A1MAPTLMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885MAPT 4336/4885LMNA 1817/4885

“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.