SCHEMBL3534972

SCHEMBL3534972

FC(F)(F)NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KDM4E B2RXH2 2/20 0.58
NOX1 Q9Y5S8 1/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 2/20 0.51
CNR1 P21554 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 3/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL5445907 0.81 MAPT (0.75) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL8956455 0.81 MAPT (0.75) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL19891039 0.81 HTT (0.68) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL2465758 0.80 ALDH1A1 (0.64) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL2704531 0.77 ALDH1A1 (0.58) MAPTKDM4EGAAALDH1A1EPHX1
SCHEMBL28438914 0.77 IDO1 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
Thiourea SCHEMBL1991944 0.75 MAPT (0.73) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL19891064 0.75 LMNA (0.54) MAPTKDM4ENOX1GAAALDH1A1
SCHEMBL4555022 0.75 MAPT (0.67) MAPTKDM4EGAAALDH1A1NPSR1
SCHEMBL8956349 0.74 NOX1 (0.85) MAPTKDM4ENOX1GAAALDH1A1

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
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
CN-101654452-A Heterocyclic compounds and methods of use. TARGEGEN INC US 2010-02-24 CN disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
EP-1799656-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN INC (US) 2009-09-02 EP disclosed
CN-101044125-A Heterocyclic compounds and methods of use TARGEGEN INC (US) 2007-09-26 CN disclosed
EP-1799656-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-06-27 EP disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 US disclosed
WO-2006024034-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-03-02 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPT 3102/4885KDM4E 3566/4885NOX1 1243/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPT 3102/4885KDM4E 3566/4885NOX1 1243/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS MAPT 3102/4885KDM4E 3566/4885NOX1 1243/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPT 3102/4885KDM4E 3566/4885NOX1 1243/4885

“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.