SCHEMBL2370724

SCHEMBL2370724

COC(=O)c1cc(Br)ccc1Oc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
VCAM1 P19320 1/20 0.39
PKM P14618 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL10171014 0.85 TDP1 (0.48) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL1367387 0.82 L3MBTL1 (0.52) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL25666679 0.79 MAPT (0.49) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL21332632 0.78 PKM (0.55) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL25666695 0.78 TDP1 (0.45) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL25666694 0.77 MAPT (0.47) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL25666822 0.76 TTR (0.54) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL21332780 0.76 TDP1 (0.46) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL21332801 0.76 KMT2A (0.47) TDP1MEN1KMT2APOLBHSD17B10
SCHEMBL21332706 0.76 MAPT (0.57) TDP1MEN1KMT2APOLBALDH1A1

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-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TDP1 1072/4885MEN1 4155/4885KMT2A 3694/4885

“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.