SCHEMBL3750278

SCHEMBL3750278

COc1cc(N)ccc1-n1cncc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.58
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SNCA P37840 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 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
SCHEMBL7081824 0.78 ALDH1A1 (0.39) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL2480440 0.76 HTT (0.49) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL15222157 0.76 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL10914738 0.74 NR4A1 (1.00) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL15218939 0.73 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL16896842 0.71 NR4A1 (0.70) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1037506 0.71 CYP11B1 (0.60) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1929867 0.71 NR4A1 (0.51) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL27938658 0.71 NR4A1 (0.59) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL29637044 0.70 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA

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
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 NR4A1 2352/4885ALDH1A1 2384/4885MAPT 16/4885

“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.