SCHEMBL1607044

SCHEMBL1607044

CCCCn1cc(C(=O)C2CCCC2)cc1C(=O)Nc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CYP2C9 P11712 1/20 0.43
ADORA2A P29274 1/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 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
SCHEMBL1607586 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1606352 0.77 CNR2 (0.43) RAB9A
SCHEMBL2661918 0.75 MEN1 (0.46) ALDH1A1MEN1KMT2AADORA2AHPGD
SCHEMBL1607238 0.73 SMN1; SMN2 (0.67) ALDH1A1MEN1KMT2ACYP2C9ADORA2A
SCHEMBL17404960 0.67 NPC1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2642891 0.66 KCNMA1 (0.53) ALDH1A1MEN1KMT2ACYP2C9ADORA2A
SCHEMBL8013302 0.66 NPC1 (0.67) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2662435 0.65 EPHX2 (0.46) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1607511 0.64 RAB9A (0.42) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL2660712 0.64 MEN1 (0.52) ALDH1A1MEN1KMT2ACYP2C9HPGD

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
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
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-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

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 2638/4885MEN1 4335/4885KMT2A 3033/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 ALDH1A1 1240/4885MEN1 3174/4885KMT2A 1570/4885

“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.