SCHEMBL3168644

SCHEMBL3168644

Fc1ccc(C2CSCC[N]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
NOS3 P29474 6/20 0.34
NOS2 P35228 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
TGFBR1 P36897 1/20 0.32
SLC6A2 P23975 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2B P41595 2/20 0.31
SLC6A3 Q01959 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL902159 0.77 KDM1A (0.43) KDM1ATDP1SLC6A2SLC6A4SLC6A3
SCHEMBL5542785 0.74 TAAR1 (0.43) BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL9164760 0.74 MAOA (0.43) TDP1
SCHEMBL10379980 0.71 KDM1A (0.42) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL5537122 0.69 HTR2C (0.43) KDM1AHTR2AHTR2CHTR2B
SCHEMBL6982998 0.69 KDM1A (0.41) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL4972144 0.67 KDM1A (0.38) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL1616732 0.67 KDM1A (0.38) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL3153886 0.66 TAAR1 (0.42) KDM1AHTR2AHTR2CHTR2B
SCHEMBL10151035 0.65 KDM1A (0.41) KDM1AGSK3BBACE1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 KDM1A 2129/4885GSK3B 1702/4885BACE1 3363/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM1A 2129/4885GSK3B 1702/4885BACE1 3363/4885

“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.