SCHEMBL2642646

SCHEMBL2642646

CC(C)n1cc(C(=O)Nc2nccs2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
MGAM O43451 2/20 0.46
SI P14410 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
POLB P06746 1/20 0.46
STAT1 P42224 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2642329 0.85 ALDH1A1 (0.54) LMNANPC1MAPTKDM4EGAA
SCHEMBL2643829 0.85 KCNMA1 (0.46) NPC1KDM4EGAAALDH1A1HPGD
SCHEMBL2642895 0.84 KCNMA1 (0.57) LMNANPC1MAPTKDM4EHTT
SCHEMBL2642511 0.84 NPC1 (0.50) LMNANPC1KDM4EGAAKMT2A
SCHEMBL2642733 0.84 NPC1 (0.49) NPC1KDM4EGAAKMT2AALDH1A1
SCHEMBL2643037 0.83 GCK (0.51) ALDH1A1GCK
SCHEMBL2642716 0.83 KDM4E (0.60) NPC1MAPTKDM4EGAAALDH1A1
SCHEMBL2642651 0.82 RAB9A (0.54) LMNANPC1MAPTKDM4EGAA
SCHEMBL2642797 0.81 ADORA2A (0.43) NPC1MAPTKMT2AALDH1A1HPGD
SCHEMBL1606064 0.79 LMNA (0.50) LMNANPC1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US claimed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US claimed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK LMNA 4752/4885NPC1 4420/4885MAPT 4518/4885
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK LMNA 3963/4885NPC1 4060/4885MAPT 3888/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 LMNA 4232/4885NPC1 3131/4885MAPT 3937/4885

“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.