SCHEMBL6431088

SCHEMBL6431088

O=C(CN1CCC2(CC1)CO2)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NOTUM Q6P988 1/20 0.41
S1PR5 Q9H228 1/20 0.40
CYP2D6 P10635 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
SCHEMBL28511071 0.85 MEN1 (0.50) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL24251635 0.84 ALDH1A1 (0.59) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL16228472 0.82 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6431426 0.81 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL25001507 0.81 ALDH1A1 (0.64) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3569051 0.81 ALDH1A1 (0.68) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL541133 0.81 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9044314 0.80 ALDH1A1 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL1128242 0.80 MEN1 (0.71) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL17921387 0.80 ALDH1A1 (0.53) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 US disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 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 (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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 MEN1 2276/4885KMT2A 4729/4885POLB 3012/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 MEN1 3390/4885KMT2A 4633/4885POLB 4189/4885

“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.