SCHEMBL3063535

SCHEMBL3063535

O=C(Cc1ccc(F)cc1)Nn1c(C2CCOC2)nc2cc(F)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 6/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL13101678 0.95 ALDH1A1 (0.43) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102070 0.94 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102086 0.93 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102083 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13101679 0.92 PDE1C (0.44) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102286 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL29830753 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102089 0.87 P2RX7 (0.42) SMN1; SMN2KDM4EPOLBMEN1KMT2A
SCHEMBL14515545 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1
SCHEMBL13102313 0.84 ALDH1A1 (0.50) SMN1; SMN2MAPK1TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663237-B1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-06-19 EP disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-7741332-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2010-06-22 US disclosed
EP-1663237-A4 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2009-04-29 EP disclosed
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1663237-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2006-06-07 EP disclosed
WO-2005025293-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-03-24 WO disclosed
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2005-03-17 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 (3 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-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 SMN1; SMN2 253/4885MAPK1 1243/4885TSHR 1918/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 SMN1; SMN2 253/4885MAPK1 1243/4885TSHR 1918/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 SMN1; SMN2 253/4885MAPK1 1243/4885TSHR 1918/4885

“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.