SCHEMBL3229944

SCHEMBL3229944

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.57
GPR35 Q9HC97 1/20 0.53
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
FDPS P14324 1/20 0.43
GFER P55789 1/20 0.43
DAO P14920 1/20 0.42
MAOA P21397 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
TSHR P16473 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL7879847 0.83 MCL1 (0.57) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL10233030 0.83 MCL1 (0.57) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL7879482 0.82 L3MBTL1 (0.50) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5600801 0.81 MCL1 (0.56) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL3258061 0.81 MCL1 (0.56) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL13456549 0.81 MCL1 (0.56) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL689437 0.81 MCL1 (0.56) MCL1GPR35ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL3559968 0.80 MCL1 (0.54) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL688803 0.79 MCL1 (0.53) MCL1GPR35ALDH1A1KDM4EHPGD
SCHEMBL3747639 0.79 KDM4E (0.60) MCL1GPR35ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186818-B 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 2013-10-02 CN disclosed
CN-102186818-A 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 2011-09-14 CN 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
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 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 (3 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A MCL1 1950/4885GPR35 2288/4885ALDH1A1 297/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A MCL1 1950/4885GPR35 2288/4885ALDH1A1 297/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A MCL1 1950/4885GPR35 2288/4885ALDH1A1 297/4885

“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.