SCHEMBL5650058

SCHEMBL5650058

CCn1cc(CNn2ccc(C)c(C(C)C(=O)O)c2=O)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL5648545 0.80 MAPT (0.36) SMN1; SMN2KDM4ETP53KMT2ARXFP1
SCHEMBL5649734 0.76 F2 (0.41) L3MBTL1SMN1; SMN2POLBALDH1A1TSHR
SCHEMBL5652709 0.75 ALDH1A1 (0.36) L3MBTL1SMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL5647632 0.75 PTGS2 (0.34) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL5649807 0.74 GAA (0.37) RAB9AALDH1A1RECQLTP53KMT2A
SCHEMBL5649537 0.74 MEN1 (0.42) L3MBTL1ALDH1A1TSHRKMT2AGAA
SCHEMBL5650300 0.74
SCHEMBL5648484 0.74 P2RX7 (0.37) TSHRKMT2AMAPT
SCHEMBL5649055 0.73 LOXL2 (0.38) L3MBTL1KDM4EGAAMAPT
SCHEMBL5648163 0.73 OPRK1 (0.40) L3MBTL1SMN1; SMN2TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT L3MBTL1 171/4885SMN1; SMN2 3414/4885RAB9A 2359/4885

“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.