SCHEMBL3100708

SCHEMBL3100708

[O]c1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
P2RX7 Q99572 5/20 0.35
KMO O15229 2/20 0.35
NOTUM Q6P988 4/20 0.34
SLC40A1 Q9NP59 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GRM4 Q14833 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
CNR2 P34972 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL3089749 0.79
SCHEMBL364870 0.78 P2RX7 (0.36) NOS3NOS2P2RX7KMONOTUM
SCHEMBL6805218 0.77 AAK1 (0.38) NOS3NOS2P2RX7KMONOTUM
SCHEMBL21979063 0.75 P2RX7 (0.38) NOS3NOS2P2RX7KMONOTUM
SCHEMBL31097846 0.75 NOS2 (0.39) NOS3NOS2P2RX7KMONOTUM
SCHEMBL6971787 0.75 P2RX7 (0.34) NOS3NOS2P2RX7KMONOTUM
SCHEMBL20088854 0.75 NOS2 (0.39) NOS3NOS2P2RX7KMONOTUM
SCHEMBL22056622 0.75 P2RX7 (0.38) P2RX7NOTUMPOLB
SCHEMBL30901282 0.75 P2RX7 (0.38) NOS3NOS2P2RX7KMONOTUM
SCHEMBL3080095 0.75 P2RX7 (0.36) P2RX7KMONOTUMSLC40A1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 NOS3 1947/4885NOS2 2142/4885P2RX7 117/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 NOS3 1947/4885NOS2 2142/4885P2RX7 117/4885

“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.