SCHEMBL2124653

SCHEMBL2124653

[c]1ccc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
LDHA P00338 1/20 0.66
EPHX2 P34913 1/20 0.66
MAPT P10636 5/20 0.58
HPGD P15428 4/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
STAT1 P42224 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.55
CYP11B1 P15538 1/20 0.55
KDM4C Q9H3R0 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.46
DGAT1 O75907 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKM P14618 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
SCHEMBL694906 0.83 NPC1 (0.62) KDM4ELDHAEPHX2MAPTHPGD
SCHEMBL16719495 0.81 ALDH1A1 (0.60) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL1519746 0.80 KDM4E (1.00) KDM4ELDHAEPHX2MAPTHPGD
SCHEMBL11231437 0.80 KDM4E (0.76) KDM4ELDHAEPHX2MAPTHPGD
SCHEMBL16720914 0.75 GAA (0.51) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL16719399 0.75 GAA (0.51) KDM4EHPGDRAB9AALDH1A1NPC1
SCHEMBL694356 0.75 CYP19A1 (0.68) KDM4ELDHAEPHX2MAPTHPGD
SCHEMBL9033788 0.74 NPC1 (0.53) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL695765 0.74 KDM4E (0.61) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL3333868 0.73 KDM4E (0.67) KDM4ELDHAEPHX2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP disclosed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP disclosed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US disclosed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 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 (4 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 3888/4885LDHA 4604/4885EPHX2 3913/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 4239/4885LDHA 4062/4885EPHX2 3488/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 3849/4885LDHA 4623/4885EPHX2 4021/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 KDM4E 4239/4885LDHA 4062/4885EPHX2 3488/4885

“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.