SCHEMBL3579808

SCHEMBL3579808

CCCOc1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
TTR P02766 1/20 0.49
ALDH1A1 P00352 5/20 0.48
RECQL P46063 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALPG P10696 1/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRSS1 P07477 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
SCHEMBL16955161 0.88 MAPT (0.55) MAPTTTRALDH1A1RECQLNPC1
SCHEMBL3584921 0.85 MAPT (0.50) MAPTALDH1A1RECQLNPC1RAB9A
SCHEMBL27777349 0.83 MAPT (0.48) MAPTALDH1A1RECQLNPC1RAB9A
SCHEMBL27827480 0.82 MAPT (0.52) MAPTALDH1A1RECQLNPC1RAB9A
SCHEMBL29750606 0.81 TTR (0.64) MAPTTTRALDH1A1LMNAMEN1
SCHEMBL704754 0.81 TTR (0.64) MAPTTTRALDH1A1LMNAMEN1
SCHEMBL11953000 0.81 MAPT (0.70) MAPTTTRALDH1A1NPC1RAB9A
SCHEMBL1342619 0.80 ALDH1A1 (0.57) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL11421914 0.80 CYP19A1 (0.60) MAPTALDH1A1RECQLNPC1RAB9A
SCHEMBL5968434 0.80 MAPT (0.65) MAPTTTRALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS FREDERIKSEN MATHIAS 2010-06-10 US disclosed
CN-101528670-A 2-hydroxy-1, 3-diaminopropane derivatives NOVARTIS AG (CH) 2009-09-09 CN disclosed
EP-2094645-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008062044-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES NOVARTIS AG (CH) 2008-05-29 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-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP MAPT 28/4885TTR 2191/4885ALDH1A1 447/4885

“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.