SCHEMBL11896445

SCHEMBL11896445

CSc1cc(C2CCCCC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
ACMSD Q8TDX5 2/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 5/20 0.38
EPHX2 P34913 1/20 0.36
KMO O15229 1/20 0.36
HTR1D P28221 1/20 0.35
HDAC3 O15379 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 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
SCHEMBL20073632 0.95 BACE1 (0.38) BACE1NOS3NOS1NOS2ACMSD
SCHEMBL20073769 0.91 HDAC1 (0.38) BACE1NOS3NOS1NOS2HDAC1
SCHEMBL20150185 0.83 HTR1D (0.36) HDAC1HDAC2EPHX2HTR1DHDAC3
SCHEMBL3985023 0.77 BACE1 (0.51) BACE1NOS3NOS1NOS2ACMSD
SCHEMBL790114 0.77 BACE1 (0.47) BACE1NOS3NOS1NOS2ACMSD
SCHEMBL15156130 0.75 BACE1 (0.49) BACE1ACMSDHDAC1HDAC2EPHX2
SCHEMBL25630463 0.74 ALDH1A1 (0.45) BACE1NOS3NOS1NOS2ACMSD
SCHEMBL10627717 0.74 BACE1 (0.49) BACE1ACMSDHDAC1HDAC2EPHX2
SCHEMBL10887623 0.73 ACMSD (0.38) NOS3NOS1NOS2ACMSDHDAC2
SCHEMBL20975678 0.73 BACE1 (0.47) BACE1NOS3NOS1NOS2ACMSD

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
EP-2668186-B1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2017-05-03 EP disclosed
US-8716309-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-06 US disclosed
EP-2668186-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK Biopharmaceuticals Co., Ltd. (KR) 2013-12-04 EP disclosed
US-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-11-28 US disclosed
WO-2012102580-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-08-02 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-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR BACE1 455/4885NOS3 3445/4885NOS1 3840/4885

“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.