SCHEMBL2449718

SCHEMBL2449718

O=C1CCN(C(=O)O)CC1C(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TACR3 P29371 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 1/20 0.38
TACR1 P25103 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL2452276 0.88 ALDH1A1 (0.46) KMT2AALDH1A1POLBL3MBTL1FAAH
SCHEMBL2446094 0.83 SIGMAR1 (0.47) KMT2APOLBL3MBTL1FAAHKDM4E
SCHEMBL2448797 0.83 SIGMAR1 (0.40) KMT2AALDH1A1L3MBTL1KDM4ETACR1
SCHEMBL2451668 0.82 GPR119 (0.50) PKMKDM4ESMN1; SMN2
SCHEMBL15352654 0.77 TACR3 (0.43) KMT2APKMALDH1A1TACR3L3MBTL1
SCHEMBL9052963 0.77 TACR3 (0.43) KMT2APKMALDH1A1TACR3L3MBTL1
SCHEMBL2448607 0.76 ATM (0.43) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL183476 0.74 ITGB3 (0.42)
SCHEMBL9051840 0.74 NPC1 (0.41) KMT2APKMPOLBTACR1MEN1
SCHEMBL2449302 0.74 ITGB3 (0.39) KMT2AALDH1A1KDM4ENPC1

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-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 KMT2A 3537/4885PKM 3334/4885ALDH1A1 4124/4885

“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.