SCHEMBL1606708

SCHEMBL1606708

CC=CCn1cc(C(=O)Nc2nccs2)c2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41

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
SCHEMBL1606707 1.00 NPC1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
Indole SCHEMBL2654254 0.89 RAB9A (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1607696 0.89 NPC1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1607858 0.84 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1606167 0.84 MEN1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1606870 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1607719 0.82 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1607413 0.82 MEN1 (0.51) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1606359 0.82 CNR1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1607688 0.81 NPSR1 (0.48) NPC1RAB9AALDH1A1MEN1KMT2A

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-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-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 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.