SCHEMBL3709037

SCHEMBL3709037

Nn1c(CC(F)(F)F)nc2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 3/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 5/20 0.53
GAA P10253 2/20 0.53
USP2 O75604 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
GLA P06280 1/20 0.50
PTGS2 P35354 1/20 0.46

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
SCHEMBL5928772 0.80 NPC1 (0.64) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL3714715 0.80 SMN1; SMN2 (0.71) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL14743414 0.78 SMN1; SMN2 (0.69) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL3715629 0.76 KDM4E (0.58) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL30388095 0.76 KDM4E (0.58) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL28677827 0.76 SMN1; SMN2 (0.62) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL5928915 0.76 NPC1 (0.72) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL3766623 0.75 NPC1 (1.00) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL5928664 0.75 SMN1; SMN2 (0.92) NPC1SMN1; SMN2ATMLMNATSHR
SCHEMBL1302793 0.72 KDM4E (0.66) NPC1SMN1; SMN2ATMLMNATSHR

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-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067824-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US 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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 NPC1 712/4885SMN1; SMN2 1749/4885ATM 2827/4885

“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.