SCHEMBL3128658

SCHEMBL3128658

O=C(O)/C=C/c1ccc2[nH]cc(CCc3ccccn3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.46
HTR1A P08908 4/20 0.44
HTR1B P28222 4/20 0.44
ADRA2A P08913 3/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
HTR5A P47898 3/20 0.44
HTR6 P50406 3/20 0.44
LMNA P02545 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1E P28566 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
MAOA P21397 2/20 0.43
ADRA1D P25100 2/20 0.43
HTR2A P28223 2/20 0.43
CHRNB4 P30926 2/20 0.43

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
SCHEMBL3128671 1.00 GSK3B (0.46) GSK3BHTR1AHTR1BADRA2AHTR2C
SCHEMBL3127861 0.84 PLA2G4A (0.57) HTR1AHTR1BADRA2AHTR2CHTR7
SCHEMBL3127872 0.84 PLA2G4A (0.57) HTR1AHTR1BADRA2AHTR2CHTR7
SCHEMBL3120694 0.80 PLA2G4A (0.49) HTR1AHTR1BADRA2AHTR2CHTR7
SCHEMBL3120684 0.80 PLA2G4A (0.49) HTR1AHTR1BADRA2AHTR2CHTR7
SCHEMBL3128191 0.76 PLA2G4A (0.74) HTR7HDAC1HDAC8PLA2G4A
SCHEMBL3128183 0.76 PLA2G4A (0.74) HTR7HDAC1HDAC8PLA2G4A
SCHEMBL3131785 0.75 HTR2A (0.57) HTR1AHTR1BADRA2AHTR2CHTR7
SCHEMBL734448 0.74 HTR2A (0.56) HTR1AHTR1BHTR2CHTR7HTR6
SCHEMBL1769196 0.73 ITGB2 (0.51) HTR1AHTR1BADRA2AHTR2CHTR7

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
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 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 (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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 GSK3B 834/4885HTR1A 243/4885HTR1B 353/4885

“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.