Sugi Predict

Sugi Predict / Compounds / SCHEMBL689437

SCHEMBL689437

SCHEMBL689437

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GPR35 Q9HC97 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FDPS P14324 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ DAO P14920 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ CCR2 P41597 2/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL3559968 0.98 MCL1 (0.54) MCL1ALDH1A1KDM4EHPGDHSD17B10
Acetonitrile SCHEMBL27699965 0.91 MCL1 (0.48) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3559963 0.85 MCL1 (0.39) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3566855 0.84 MCL1 (0.38) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3229944 0.81 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7879847 0.81 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10233030 0.81 MCL1 (0.57) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13456549 0.80 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3258061 0.80 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5600801 0.80 MCL1 (0.56) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988151-B Acetylene compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2021-04-23 — — CN disclosed
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
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 — — 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
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
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
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US 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-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 — — US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 — — CN disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — 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-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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 MCL1 3898/4885ALDH1A1 1805/4885KDM4E 2963/4885

“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.