SCHEMBL4384447

SCHEMBL4384447

COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 12/20 0.64
CA9 Q16790 3/20 0.64
CA12 O43570 5/20 0.61
RPA1 P27694 1/20 0.61
MAPT P10636 3/20 0.60
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.54
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL14152904 0.87 MAPT (0.77) ALPLCA9CA12RPA1MAPT
SCHEMBL28195524 0.83 ALPL (0.71) ALPLCA9CA12RPA1TP53
SCHEMBL14152359 0.79 ALPL (1.00) ALPLCA9CA12RPA1MAPT
SCHEMBL16682102 0.79 NPC1 (0.54) MAPTMEN1GAAKMT2ALMNA
SCHEMBL22646258 0.78 ALPL (0.62) ALPLCA9CA12RPA1MAPT
SCHEMBL4097796 0.78 ALPL (0.64) ALPLCA9CA12RPA1MAPT
SCHEMBL25196067 0.77 ALPL (0.62) ALPLCA9CA12RPA1MAPT
SCHEMBL2056467 0.77 SMN1; SMN2 (0.57) MAPTMEN1GAAKMT2ATP53
SCHEMBL1926175 0.77 MAPT (0.55) ALPLMAPTMEN1GAAKMT2A
SCHEMBL3447352 0.76 ALPL (1.00) ALPLCA9CA12RPA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALPL 4069/4885CA9 4838/4885CA12 3539/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALPL 4069/4885CA9 4838/4885CA12 3539/4885

“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.