SCHEMBL19359

SCHEMBL19359

Cc1[c]cc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
NQO2 P16083 3/20 0.40
NCF1 P14598 3/20 0.39
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 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
SCHEMBL10759793 0.78 CYP1A2 (0.50) CYP1A2ALDH1A1MAPTTDP1KDM4E
SCHEMBL1091674 0.76 CYP1A2 (0.54) CYP1A2ALDH1A1MAPTTDP1KDM4E
SCHEMBL4717309 0.73 NCF1 (0.46) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL466391 0.73 ALDH1A1 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL269764 0.73 ALDH1A1 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL529257 0.73 ALDH1A1 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL3064449 0.72 NCF1 (0.47) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL178081 0.72 TLR8 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL5748142 0.72 NCF1 (0.39) CYP1A2ALDH1A1MAPTHPGDGLA
SCHEMBL21195879 0.72 CYP1A2 (0.42) CYP1A2ALDH1A1MAPTHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9231219-B2 N-doping of organic semiconductors by bis-metallosandwich compounds GEORGIA TECH RESEARCH CORPORATION (US) 2016-01-05 US 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 claimed
US-20140302635-A1 N-DOPING OF ORGANIC SEMICONDUCTORS BY BIS-METALLOSANDWICH COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY 2014-10-09 US claimed
EP-2721658-A1 N-DOPING OF ORGANIC SEMICONDUCTORS BY BIS-METALLOSANDWICH COMPOUNDS Georgia Tech Research Corporation (US) 2014-04-23 EP claimed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US claimed
WO-2013055410-A9 N-DOPING OF ORGANIC SEMICONDUCTORS BY BIS-METALLOSANDWICH COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 2013-07-11 WO claimed
WO-2013055410-A1 N-DOPING OF ORGANIC SEMICONDUCTORS BY BIS-METALLOSANDWICH COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-18 WO 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
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-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
EP-0476456-B1 Substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1997-11-12 EP claimed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP claimed
US-5322680-A Chromogenic detector for medical diagnosis by forming formazan dyes chemical reduction MILES INC. (US) 1994-06-21 US claimed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US claimed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP1A2 4717/4885ALDH1A1 4716/4885MAPT 2258/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 CYP1A2 4769/4885ALDH1A1 4724/4885MAPT 2269/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 CYP1A2 4739/4885ALDH1A1 4742/4885MAPT 3379/4885

“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.