SCHEMBL1320932

SCHEMBL1320932

O=C(COc1ccccc1)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.52
ADORA3 P0DMS8 3/20 0.50
ADORA2A P29274 3/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
GRK6 P43250 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1322696 0.88 ADORA3 (0.43) MCHR1ADORA3ADORA2ACYP1A2CYP2C19
SCHEMBL1320480 0.88 CACNA1H (0.48) MCHR1ADORA3ADORA1GPR139GRK6
SCHEMBL1321746 0.86 MCHR1 (0.44) MCHR1ADORA3ADORA2AMAPTLMNA
SCHEMBL1320359 0.86 MCHR1 (0.46) MCHR1ADORA3TP53ALDH1A1GPR139
SCHEMBL1321296 0.85 GPR139 (0.44) MCHR1ADORA3MAPTGPR139GRK6
SCHEMBL1321221 0.85 GPR139 (0.43) MCHR1ADORA3MAPTTP53GPR139
SCHEMBL1318535 0.84 KCNQ3 (0.50) MCHR1ADORA3THRBGPR139GRK6
SCHEMBL1321122 0.84 NLRP3 (0.43) MCHR1ALDH1A1GPR139MEN1KMT2A
SCHEMBL1320524 0.84 MCHR1 (0.43) MCHR1MAPTLMNATP53THRB
SCHEMBL1320414 0.82 KCNQ3 (0.48) MCHR1POLBALDH1A1GPR139GRK6

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-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-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 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

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 MCHR1 1993/4885ADORA3 1985/4885ADORA2A 1470/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MCHR1 2004/4885ADORA3 1823/4885ADORA2A 1404/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MCHR1 2004/4885ADORA3 1823/4885ADORA2A 1404/4885

“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.