SCHEMBL2334077

SCHEMBL2334077

Fc1ccc2c(c1)C(c1ccccc1)=NCC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.51
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK1 P06870 1/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK9 P45984 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL6720533 0.84 MAPK10 (0.50) MAPK10PLGPLAUPLATKLK1
SCHEMBL6724936 0.84 MAPK10 (0.50) MAPK10PLGPLAUPLATKLK1
SCHEMBL24724255 0.82 MAPK10 (0.56) MAPK10PLGPLAUPLATKLK1
SCHEMBL3066116 0.82 MAPK10 (0.48) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL7406251 0.81 PLG (0.41) MAPK10PLGPLAUPLATKLK1
SCHEMBL28340992 0.81 MAPK10 (0.58) MAPK10PLGPLAUPLATKLK1
SCHEMBL28531265 0.81 MAPK10 (0.55) MAPK10PLGPLAUPLATKLK1
SCHEMBL29498359 0.80 MAPK10 (0.55) MAPK10ALDH1A1LMNANOS3NOS2
SCHEMBL29498358 0.80 MAPK10 (0.55) MAPK10ALDH1A1LMNANOS3NOS2
SCHEMBL11269191 0.80 MAPK10 (0.55) MAPK10ALDH1A1LMNANOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 US disclosed
CN-102256947-A Substituted 4-(1,2,3,4-tetrahydroisochinolin-2-yl)-4-oxo-butyric acid amide as kcnq2/2 modulators GRUENENTHAL GMBH 2011-11-23 CN disclosed
EP-2358681-A1 SUBSTITUTED 4-(1,2,3,4-TETRAHYDROISOCHINOLIN-2-YL)-4-OXO-BUTYRIC ACID AMIDE AS KCNQ2/2 MODULATORS Grünenthal GmbH (DE) 2011-08-24 EP disclosed
WO-2010075973-A1 SUBSTITUTED 4-(1,2,3,4-TETRAHYDROISOCHINOLIN-2-YL)-4-OXO-BUTYRIC ACID AMIDE AS KCNQ2/2 MODULATORS Grünenthal GmbH (DE) 2010-07-08 WO disclosed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 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-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators KCNAB1, KCNQ2, KCNQ1 MAPK10 2674/4885PLG 4674/4885PLAU 4734/4885

“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.