SCHEMBL1606235

SCHEMBL1606235

O=C(Nc1nccs1)c1cn(CCc2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.52
PIK3C2A O00443 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
PTPN7 P35236 1/20 0.48
GAA P10253 1/20 0.48

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
Indole SCHEMBL2654377 0.89 RAB9A (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1606612 0.89 NPSR1 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL9072125 0.87 NPC1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1607085 0.85 CNR1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL26494946 0.84 ALOX15 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1607261 0.84 CNR2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1607239 0.84 CNR1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1607118 0.84 RAB9A (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1607277 0.83 NPC1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL1608030 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1

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 13 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-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-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-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-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
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
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
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
EP-1532980-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
EP-1532980-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2005-05-25 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 ALDH1A1 2638/4885SMN1; SMN2 4404/4885NPC1 4060/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 ALDH1A1 1240/4885SMN1; SMN2 4437/4885NPC1 3131/4885

“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.