SCHEMBL4136038

SCHEMBL4136038

NC(=O)c1ccc(CN2CCOCC2)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.75
HRH3 Q9Y5N1 6/20 0.59
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
AOC3 Q16853 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 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
SCHEMBL15652383 0.87 KDM4E (0.70) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL1243301 0.86 HTT (1.00) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL1286688 0.84 HTT (0.75) HTTHRH3KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL3500894 0.84 HTT (0.97) HTTHRH3KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL3500984 0.83 HTT (0.73) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL25062750 0.82 HTT (0.71) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL13627729 0.81 HTT (0.69) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL3501938 0.79 HTT (0.66) HTTHRH3KDM4EGAAALDH1A1
SCHEMBL2912823 0.78 HPGD (0.64) HRH3KDM4EALDH1A1AOC3NOS3
SCHEMBL8279708 0.77 HRH3 (0.68) HTTHRH3ALDH1A1NPSR1HPGD

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HTT 3425/4885HRH3 421/4885KDM4E 2622/4885

“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.