SCHEMBL4688960

SCHEMBL4688960

COc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1N1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.68
HTR1B P28222 11/20 0.68
HTR2A P28223 4/20 0.68
SLC6A4 P31645 2/20 0.62
TMPRSS2 O15393 1/20 0.62
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
HTR1A P08908 9/20 0.58
HTR2C P28335 5/20 0.58
HTR6 P50406 3/20 0.58
HTR7 P34969 2/20 0.58
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
LCK P06239 1/20 0.57
MAPK14 Q16539 1/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57

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
SCHEMBL7801070 0.87 HTR1D (0.78) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8704883 0.87 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL7805150 0.87 HTR1D (0.77) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8705402 0.87 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8705195 0.87 HTR1D (0.70) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL8707722 0.86 HTR1D (0.69) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL9299582 0.85 HTR1D (0.69) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL1333497 0.85 HTR1D (0.71) HTR1DHTR1BHTR2ASLC6A4TMPRSS2
SCHEMBL7805165 0.84 RAB9A (0.55) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL4688961 0.84 HTR1D (0.67) HTR1DHTR1BHTR2ASLC6A4TMPRSS2

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-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
WO-1994015920-A1 BENZANILIDE DERIVATIVES AS 5-HT1D-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1994-07-21 WO disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 HTR1D 2745/4885HTR1B 1790/4885HTR2A 884/4885

“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.