SCHEMBL3074907

SCHEMBL3074907

O=C(Cc1ccccc1)Nn1c(C2CC2)nc2cc(C(F)(F)F)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1D P48730 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.43
SIGMAR1 Q99720 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
CTSD P07339 2/20 0.42
NPC1 O15118 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
SCHEMBL13101623 0.91 SMN1; SMN2 (0.52) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13102375 0.91 SMN1; SMN2 (0.45) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13101617 0.90 SMN1; SMN2 (0.47) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13101624 0.88 CCNA2 (0.45) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13101615 0.88 SMN1; SMN2 (0.44) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL14539654 0.88 KDM4E (0.44) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13102313 0.87 ALDH1A1 (0.50) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13101630 0.87 SMN1; SMN2 (0.45) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13102436 0.86 TSHR (0.49) ALDH1A1ATMTSHRKDM4EMAPK1
SCHEMBL13102248 0.84 SMN1; SMN2 (0.45) ALDH1A1ATMTSHRKDM4EMAPK1

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 ALDH1A1 2354/4885ATM 1284/4885TSHR 1918/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885ATM 1284/4885TSHR 1918/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885ATM 1284/4885TSHR 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.