SCHEMBL5493400

SCHEMBL5493400

Clc1cccc(Cl)c1-c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.44
CYP2A6 P11509 1/20 0.44
FBP1 P09467 2/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
RAB9A P51151 2/20 0.41
CYP1A1 P04798 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP1B1 Q16678 4/20 0.40
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL8221405 0.87 PDPK1 (0.43) PDPK1LOXL2CYP2A6FBP1MEN1
SCHEMBL11402488 0.87 PDPK1 (0.43) PDPK1LOXL2CYP2A6FBP1MEN1
SCHEMBL11402984 0.87 PTGES (0.44) PDPK1LOXL2CYP2A6FBP1MEN1
SCHEMBL16111553 0.87 PDPK1 (0.43) PDPK1LOXL2CYP2A6FBP1MEN1
SCHEMBL27382644 0.81 ALDH1A1 (0.46) PDPK1MEN1ALDH1A1KMT2AHPGD
SCHEMBL28031696 0.81 SMN1; SMN2 (0.42) PDPK1LOXL2MEN1ALDH1A1KMT2A
SCHEMBL11398327 0.81 ALDH1A1 (0.41) PDPK1LOXL2ALDH1A1GAA
SCHEMBL30457805 0.78 PDPK1 (0.53) PDPK1CYP2A6FBP1MEN1ALDH1A1
SCHEMBL1565328 0.78 PDPK1 (0.53) PDPK1CYP2A6FBP1MEN1ALDH1A1
SCHEMBL31055003 0.77 PDPK1 (0.52) PDPK1LOXL2CYP2A6ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed
US-7144903-B2 CCR4 antagonists AMGEN INC. (US) 2006-12-05 US disclosed
EP-1578341-A4 MODULATION OF CCR4 FUNCTION TULARIK INC (US) 2005-09-28 EP disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 EP disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 WO disclosed
EP-0377904-A2 Agent against protozoae in insects BAYER AG (DE) 1990-07-18 EP disclosed
EP-0353526-A2 Agent against fish parasites containing triazinedione derivatives BAYER AG (DE) 1990-02-07 EP disclosed
EP-0330041-A2 Substituted 1,2,4-trazine diones, process for their synthesis and their use BAYER AG (DE) 1989-08-30 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 (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-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 PDPK1 3710/4885LOXL2 1248/4885CYP2A6 1785/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 PDPK1 3645/4885LOXL2 1280/4885CYP2A6 1674/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 PDPK1 3645/4885LOXL2 1280/4885CYP2A6 1674/4885

“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.