SCHEMBL2656598

SCHEMBL2656598

O=C(Nc1ccc(Br)cn1)c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
HTT P42858 1/20 0.54
PKM P14618 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL890637 0.87 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL4856290 0.85 POLB (0.63) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL6590143 0.82 MAPT (0.65) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL890832 0.81 KDM4E (0.73) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL2661906 0.81 GCK (0.51) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL16318557 0.78 MAPT (0.71) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL4859752 0.76 KDM4E (0.55) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL27826356 0.75 KMT2A (0.55) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL15774621 0.75 SMN1; SMN2 (0.58) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL1454521 0.75 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2MAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174062-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-10174062-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 US disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2185570-A2 NOVEL ACTIVATORS OF GLUCOKINASE Metabasis Therapeutics, Inc. (US) 2010-05-19 EP disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 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 (4 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-10005805-B2 GCKR, GCK, HK1 NPC1 751/4885RAB9A 2395/4885MAPT 2748/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 NPC1 1223/4885RAB9A 2391/4885MAPT 2681/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 NPC1 1223/4885RAB9A 2391/4885MAPT 2681/4885
US-10174062-B2 Activators of glucokinase GCKR, GCK, HK1 NPC1 1265/4885RAB9A 2523/4885MAPT 2413/4885

“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.