SCHEMBL4089947

SCHEMBL4089947

O=CCN(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 5/20 0.54
HTT P42858 3/20 0.54
PAX8 Q06710 2/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
REN P00797 2/20 0.50
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
JAK2 O60674 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL5451636 0.86 NPC1 (0.67) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL28918715 0.85 NPC1 (0.54) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL376141 0.84 LMNA (0.52) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL14397817 0.83 REN (0.50) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL14397794 0.83 NPC1 (0.50) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL14397790 0.79 MEN1 (0.47) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2931129 0.79 ALDH1A1 (0.66) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2902849 0.78 NPC1 (0.62) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2934724 0.78 NPC1 (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL1845917 0.77 ALDH1A1 (0.51) NPC1RAB9AALDH1A1HTTSMN1; SMN2

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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR NPC1 3127/4885RAB9A 1948/4885KMT2A 3845/4885

“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.