SCHEMBL689571

SCHEMBL689571

Cn1c(C(=O)O)cc2cccc(C=O)c21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.53
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GPR35 Q9HC97 1/20 0.41
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FDPS P14324 1/20 0.40
DAO P14920 1/20 0.39
CCR2 P41597 2/20 0.37
SRD5A2 P31213 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APEX1 P27695 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3159762 0.86 MCL1 (0.51) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7879847 0.79 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10233030 0.79 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3229944 0.79 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL689572 0.78 PTGDR2 (0.38) MCL1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL5600801 0.78 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3258061 0.78 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL689437 0.78 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13456549 0.78 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL3559968 0.76 MCL1 (0.54) MCL1ALDH1A1KDM4EHPGDHSD17B10

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
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
EP-1786801-B1 2-ARYLCARBAMOYL-INDOLES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-10 EP disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1786801-A1 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-05-23 EP disclosed
WO-2006026235-A1 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed
US-20060046986-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-02 US 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 MCL1 4329/4885ALDH1A1 1231/4885KDM4E 2099/4885
US-20060046986-A1 Cytokine inhibitors IL1B, TNF, IL1A MCL1 1950/4885ALDH1A1 297/4885KDM4E 4514/4885

“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.