SCHEMBL1606455

SCHEMBL1606455

O=C(Nc1nccs1)c1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.79
RAB9A P51151 6/20 0.79
ALDH1A1 P00352 4/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
MAPT P10636 2/20 0.79
GLA P06280 1/20 0.65
CYP1A2 P05177 1/20 0.59
GAA P10253 1/20 0.58
LMNA P02545 2/20 0.55
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL10686239 0.91 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11924959 0.88 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL30136193 0.84 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL23727897 0.84 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1607268 0.83 RAB9A (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL15113529 0.83 ALDH1A1 (0.75) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13774685 0.79 GLA (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2652484 0.77 RAB9A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4948396 0.77 GPR84 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2660937 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP 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
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP 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 (2 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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK NPC1 4060/4885RAB9A 4493/4885ALDH1A1 2638/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 NPC1 3131/4885RAB9A 3609/4885ALDH1A1 1240/4885

“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.