SCHEMBL1320664

SCHEMBL1320664

Cc1cccc2nc(C(=O)O)c(-c3cccc(C(F)(F)F)c3)n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.54
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
XDH P47989 1/20 0.48
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
KMO O15229 2/20 0.44
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.42
CTSK P43235 1/20 0.41
LRRK2 Q5S007 1/20 0.41
NPC1 O15118 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL1321901 0.86 PIN1 (0.44) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL12119830 0.86 PIN1 (0.48) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL1320079 0.85 MAPT (0.52) PIN1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL13945675 0.84 PIN1 (0.46) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL1322073 0.80 IKBKB (0.47) PIN1ALDH1A1SMN1; SMN2XDHPOLB
SCHEMBL28788023 0.78 ADORA2A (0.41) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL1318881 0.76 CSNK1D (0.42) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL12119833 0.75 MAPT (0.50) PIN1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL27792350 0.75 MEN1 (0.37) PIN1ALDH1A1SMN1; SMN2XDHKMT2A
SCHEMBL1321284 0.74 SLC1A3 (0.41) PIN1ALDH1A1SMN1; SMN2XDHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 WO disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 PIN1 1843/4885ALDH1A1 2020/4885SMN1; SMN2 187/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 PIN1 1532/4885ALDH1A1 2150/4885SMN1; SMN2 135/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 PIN1 1532/4885ALDH1A1 2150/4885SMN1; SMN2 135/4885

“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.