SCHEMBL1607899

SCHEMBL1607899

NC(=O)Cc1ccc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ENPP2 Q13822 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TYR P14679 1/20 0.47
BACE1 P56817 4/20 0.46
CA2 P00918 1/20 0.44
CYP2A6 P11509 1/20 0.43
FAAH O00519 1/20 0.43
AHR P35869 2/20 0.43
CMA1 P23946 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43

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
SCHEMBL30006017 1.00 NLRP3 (0.53) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL30006673 0.86 HDAC1 (0.54) KDM4EALDH1A1ENPP2CA2CYP2A6
SCHEMBL9225433 0.86 HDAC1 (0.54) KDM4EALDH1A1ENPP2CA2CYP2A6
SCHEMBL29627552 0.84 KDM4E (0.56) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL3105331 0.84 KDM4E (0.56) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL21274689 0.83 BACE1 (0.50) NLRP3KDM4EALDH1A1ENPP2HPGD
Water SCHEMBL8810335 0.83 KDM4E (0.54) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL10645020 0.79 NLRP3 (0.60) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL6675330 0.79 NLRP3 (0.64) NLRP3KDM4EALDH1A1ENPP2HPGD
SCHEMBL11976503 0.79 NLRP3 (0.53) NLRP3KDM4EALDH1A1ENPP2HPGD

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 8 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
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
CN-1030910-A ALIPHATIC CARBOXAMIDEX ICI AMERICA INC (US) 1989-02-08 CN disclosed
EP-0290145-A1 Aliphatic carboxamides ZENECA INC. (US) 1988-11-09 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 NLRP3 3994/4885KDM4E 3576/4885ALDH1A1 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 NLRP3 2566/4885KDM4E 2135/4885ALDH1A1 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.