SCHEMBL4806005

SCHEMBL4806005

CCOC(=O)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 1/20 0.46
ELANE P08246 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SRC P12931 2/20 0.45
LCK P06239 1/20 0.45
KIT P10721 1/20 0.45
HCRTR1 O43613 1/20 0.44

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
SCHEMBL28537556 0.87 LMNA (0.48) SMN1; SMN2ALDH1A1MAPK1LMNAHPGD
SCHEMBL4809547 0.86 HTT (0.51) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL28059754 0.83 SLC22A12 (0.46) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL16810532 0.82 SLC22A12 (0.47) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL28541218 0.81 SLC22A12 (0.49) RAB9ANPC1POLBSLC22A12MEN1
SCHEMBL12670704 0.80 HPGD (0.48) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL14686866 0.80 MAPT (0.59) SMN1; SMN2MAPTALDH1A1MAPK1LMNA
SCHEMBL14175666 0.80 SRC (0.47) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL12670698 0.80 LCK (0.47) SMN1; SMN2MAPTALDH1A1HPGDHTT
SCHEMBL6075112 0.79 HPGD (0.52) SMN1; SMN2ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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 (2 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-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME XDH, CBR3, CBR1 SMN1; SMN2 4287/4885MAPT 3592/4885ALDH1A1 280/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 SMN1; SMN2 1341/4885MAPT 964/4885ALDH1A1 204/4885

“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.