SCHEMBL7976646

SCHEMBL7976646

O=C(O)c1cc2c(O)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
NUDT1 P36639 5/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
BRAF P15056 2/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNNI3K Q59H18 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMAD3 P84022 1/20 0.38

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
SCHEMBL22554070 0.81 DAO (0.44) DAONUDT1KDM4EIDO1TDO2
SCHEMBL29722004 0.81 IDO1 (0.49) DAONUDT1KDM4ETDP1IDO1
SCHEMBL30731002 0.81 DAO (0.44) DAONUDT1KDM4EIDO1TDO2
SCHEMBL3008612 0.81 IDO1 (0.49) DAONUDT1KDM4ETDP1IDO1
SCHEMBL29721792 0.81 NUDT1 (0.44) DAONUDT1KDM4EIDO1TDO2
SCHEMBL23147745 0.81 NUDT1 (0.44) DAONUDT1KDM4EIDO1TDO2
SCHEMBL30239581 0.81 GRIN1 (0.46) DAONUDT1KDM4EIDO1TDO2
SCHEMBL20839678 0.81 GRIN1 (0.46) DAONUDT1KDM4EIDO1TDO2
SCHEMBL21965872 0.79 NUDT1 (0.60) NUDT1CCNKCDK12ALOX15
SCHEMBL22578334 0.78 DAO (0.41) DAONUDT1KDM4EIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 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 (1 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-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB DAO 984/4885NUDT1 1609/4885KDM4E 3282/4885

“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.