SCHEMBL3160643

SCHEMBL3160643

Cn1c(C(=O)O)cc2cccc(OCc3ccccc3)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.61
SRD5A1 P18405 1/20 0.61
MRGPRX4 Q96LA9 5/20 0.49
MCL1 Q07820 1/20 0.49
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER1 P34995 2/20 0.45
EDNRA P25101 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7880731 0.89 SRD5A2 (0.52) SRD5A2SRD5A1MRGPRX4MAPTMAPK1
SCHEMBL4054227 0.87 SRD5A2 (0.47) SRD5A2SRD5A1MRGPRX4MAPTMAPK1
SCHEMBL26581296 0.83 SRD5A2 (0.57) SRD5A2SRD5A1MRGPRX4MCL1MAPT
SCHEMBL13690302 0.82 MCL1 (0.49) SRD5A2SRD5A1MCL1TP53HPGD
SCHEMBL3747639 0.80 KDM4E (0.60) SRD5A2SRD5A1MCL1HPGDSMN1; SMN2
SCHEMBL5118648 0.80 SRD5A2 (0.46) SRD5A2SRD5A1MRGPRX4MCL1HPGD
SCHEMBL5005325 0.79 SRD5A2 (0.61) SRD5A2SRD5A1MRGPRX4MCL1MAPT
SCHEMBL6814183 0.78 MRGPRX4 (0.43) SRD5A2SRD5A1MRGPRX4MAPTTDP1
SCHEMBL14276250 0.77 MCL1 (0.50) SRD5A2SRD5A1MCL1MAPTTDP1
SCHEMBL26581484 0.77 SRD5A2 (0.66) SRD5A2SRD5A1MRGPRX4MCL1MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1786801-B1 2-ARYLCARBAMOYL-INDOLES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-10 EP disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US 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
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 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
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-1786801-A1 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-05-23 EP disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 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
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
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 (5 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 SRD5A2 3939/4885SRD5A1 3967/4885MRGPRX4 197/4885
US-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A SRD5A2 1553/4885SRD5A1 1279/4885MRGPRX4 826/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A SRD5A2 1553/4885SRD5A1 1279/4885MRGPRX4 826/4885
US-20060046986-A1 Cytokine inhibitors IL1B, TNF, IL1A SRD5A2 1553/4885SRD5A1 1279/4885MRGPRX4 826/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SRD5A2 1208/4885SRD5A1 730/4885MRGPRX4 3245/4885

“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.